[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol

C24H32Cl4N2O — CID 142934441

IUPAC[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
SMILESCCO.NCC1CCC(CN(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H26Cl4N2.C2H6O/c23-19-7-5-17(9-21(19)25)13-28(12-16-3-1-15(11-27)2-4-16)14-18-6-8-20(24)22(26)10-18;1-2-3/h5-10,15-16H,1-4,11-14,27H2;3H,2H2,1H3
InChIKeyWYRNMIGCYIBUHK-UHFFFAOYSA-N
MW506.35 g/mol
LogP7.07
Rot. Bonds7

About [4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol

[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol (PubChem CID 142934441) has the molecular formula C24H32Cl4N2O and a molecular weight of 506.35 g/mol. Its IUPAC name is [4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol.

Molecular Properties

Compound Name[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
PubChem CID142934441
Molecular FormulaC24H32Cl4N2O
Molecular Weight506.35 g/mol
Exact Mass504.13
IUPAC Name[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
SMILESCCO.NCC1CCC(CN(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H26Cl4N2.C2H6O/c23-19-7-5-17(9-21(19)25)13-28(12-16-3-1-15(11-27)2-4-16)14-18-6-8-20(24)22(26)10-18;1-2-3/h5-10,15-16H,1-4,11-14,27H2;3H,2H2,1H3
InChIKeyWYRNMIGCYIBUHK-UHFFFAOYSA-N
XLogP7.07
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.35
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
[4-[[cyclohexylmethyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934345
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 142934317
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 142934394
[4-[[(3,4-dichlorophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine;2,2-difluoropropanal;ethane
CID 142934334
4-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512383
[4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934245
2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
CID 63956947
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604413
[4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934351
[4-[[bis[(3-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine;propanoic acid
CID 142934541

Frequently Asked Questions

What is the IUPAC name of [4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol?
The IUPAC name of [4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol (CID 142934441) is [4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol.
What is the SMILES notation for [4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol?
The canonical SMILES for [4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol is CCO.NCC1CCC(CN(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol?
The InChIKey is WYRNMIGCYIBUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl4N2.C2H6O/c23-19-7-5-17(9-21(19)25)13-28(12-16-3-1-15(11-27)2-4-16)14-18-6-8-20(24)22(26)10-18;1-2-3/h5-10,15-16H,1-4,11-14,27H2;3H,2H2,1H3.
What are the key properties of [4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol?
[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol has a molecular weight of 506.35 g/mol, XLogP of 7.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol is sourced from PubChem (CID 142934441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).