[4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid

C24H36ClF3N2O2 — CID 142934650

IUPAC[4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid
SMILESNCC1CCC(CN(Cc2ccc(Cl)cc2)CC2CCCCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H35ClN2.C2HF3O2/c23-22-12-10-21(11-13-22)17-25(15-19-4-2-1-3-5-19)16-20-8-6-18(14-24)7-9-20;3-2(4,5)1(6)7/h10-13,18-20H,1-9,14-17,24H2;(H,6,7)
InChIKeySIHIRUSFNFIXSX-UHFFFAOYSA-N
MW477.01 g/mol
LogP6.12
Rot. Bonds7

About [4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid

[4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid (PubChem CID 142934650) has the molecular formula C24H36ClF3N2O2 and a molecular weight of 477.01 g/mol. Its IUPAC name is [4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid
PubChem CID142934650
Molecular FormulaC24H36ClF3N2O2
Molecular Weight477.01 g/mol
Exact Mass476.24
IUPAC Name[4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid
SMILESNCC1CCC(CN(Cc2ccc(Cl)cc2)CC2CCCCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H35ClN2.C2HF3O2/c23-22-12-10-21(11-13-22)17-25(15-19-4-2-1-3-5-19)16-20-8-6-18(14-24)7-9-20;3-2(4,5)1(6)7/h10-13,18-20H,1-9,14-17,24H2;(H,6,7)
InChIKeySIHIRUSFNFIXSX-UHFFFAOYSA-N
XLogP6.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.01
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-(2-chlorophenyl)-N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid
CID 44535997
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-(2,6-dichlorophenyl)ethanamine;2,2,2-trifluoroacetic acid
CID 44536001
N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536484
N-[(4-chlorophenyl)methyl]-1-hexylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536498
N-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536482
1-[(2-chlorophenyl)methyl]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536508
N-[(3-chlorophenyl)methyl]-1-(1-hexylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
CID 44536522
N',N'-bis[(4-chlorophenyl)methyl]propane-1,3-diamine;2,2,2-trifluoroacetic acid
CID 49796760
N'-benzyl-N'-[(4-chlorophenyl)methyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 49796762
N'-benzyl-N'-[(4-chlorophenyl)methyl]propane-1,3-diamine;2,2,2-trifluoroacetic acid
CID 49796792
N',N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 49796797
1-(4-Chlorobenzyl)piperidin-4-amine 2,2,2-trifluoroacetate
CID 16254340

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of [4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid (CID 142934650) is [4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for [4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid is NCC1CCC(CN(Cc2ccc(Cl)cc2)CC2CCCCC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of [4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is SIHIRUSFNFIXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35ClN2.C2HF3O2/c23-22-12-10-21(11-13-22)17-25(15-19-4-2-1-3-5-19)16-20-8-6-18(14-24)7-9-20;3-2(4,5)1(6)7/h10-13,18-20H,1-9,14-17,24H2;(H,6,7).
What are the key properties of [4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid?
[4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 477.01 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 142934650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).