1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine

C18H29FN2 — CID 61210973

IUPAC1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNC(C)c2ccc(F)cc2)(N(C)C)C1
InChIInChI=1S/C18H29FN2/c1-14-6-5-11-18(12-14,21(3)4)13-20-15(2)16-7-9-17(19)10-8-16/h7-10,14-15,20H,5-6,11-13H2,1-4H3
InChIKeyXADMCKNDGVILOX-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.99
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 61210973) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID61210973
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNC(C)c2ccc(F)cc2)(N(C)C)C1
InChIInChI=1S/C18H29FN2/c1-14-6-5-11-18(12-14,21(3)4)13-20-15(2)16-7-9-17(19)10-8-16/h7-10,14-15,20H,5-6,11-13H2,1-4H3
InChIKeyXADMCKNDGVILOX-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine
CID 55032865
1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63454904
1-[[(2,4-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61211353
1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212108
N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 103734794
N,N-dimethyl-1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 81301036
1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 104581873
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-5-fluorobenzonitrile
CID 63673786
[1-[[1-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343132
1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415705
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide
CID 61211364
methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate
CID 61212301

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 61210973) is 1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(CNC(C)c2ccc(F)cc2)(N(C)C)C1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is XADMCKNDGVILOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-14-6-5-11-18(12-14,21(3)4)13-20-15(2)16-7-9-17(19)10-8-16/h7-10,14-15,20H,5-6,11-13H2,1-4H3.
What are the key properties of 1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 61210973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).