1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine

C18H29FN2 — CID 64744864

IUPAC1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)C(C)c2ccccc2F)CC1C
InChIInChI=1S/C18H29FN2/c1-13-9-10-18(12-20,11-14(13)2)21(4)15(3)16-7-5-6-8-17(16)19/h5-8,13-15H,9-12,20H2,1-4H3
InChIKeyWITPQCHXQWTLMV-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.97
Rot. Bonds4

About 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine (PubChem CID 64744864) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
PubChem CID64744864
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)C(C)c2ccccc2F)CC1C
InChIInChI=1S/C18H29FN2/c1-13-9-10-18(12-20,11-14(13)2)21(4)15(3)16-7-5-6-8-17(16)19/h5-8,13-15H,9-12,20H2,1-4H3
InChIKeyWITPQCHXQWTLMV-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyloxolan-3-amine
CID 63335288
1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64744863
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylthian-3-amine
CID 62978435
1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 64745055
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine
CID 65085040
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64747023
1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
CID 64744459
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine
CID 63465615
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine
CID 62980197
1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64746825
6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79843106
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine (CID 64744864) is 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine is CC1CCC(CN)(N(C)C(C)c2ccccc2F)CC1C.
What is the InChIKey of 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine?
The InChIKey is WITPQCHXQWTLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-13-9-10-18(12-20,11-14(13)2)21(4)15(3)16-7-5-6-8-17(16)19/h5-8,13-15H,9-12,20H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64744864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).