1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine

C20H26FN3 — CID 110241888

IUPAC1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine
SMILESNCC1CCC(C(NCc2cccc(F)c2)c2ccccn2)CC1
InChIInChI=1S/C20H26FN3/c21-18-5-3-4-16(12-18)14-24-20(19-6-1-2-11-23-19)17-9-7-15(13-22)8-10-17/h1-6,11-12,15,17,20,24H,7-10,13-14,22H2
InChIKeyCNKULNYGOMGBTJ-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.82
Rot. Bonds6

About 1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine

1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 110241888) has the molecular formula C20H26FN3 and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID110241888
Molecular FormulaC20H26FN3
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Name1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine
SMILESNCC1CCC(C(NCc2cccc(F)c2)c2ccccn2)CC1
InChIInChI=1S/C20H26FN3/c21-18-5-3-4-16(12-18)14-24-20(19-6-1-2-11-23-19)17-9-7-15(13-22)8-10-17/h1-6,11-12,15,17,20,24H,7-10,13-14,22H2
InChIKeyCNKULNYGOMGBTJ-UHFFFAOYSA-N
XLogP3.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2-(3-fluorophenyl)acetamide
CID 98136163
2-(3-fluorophenyl)-1-pyridin-2-ylethanamine
CID 60819500
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 115708476
N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide
CID 110242008
5-(3-fluorophenyl)-3-pyridin-2-ylpentan-1-amine
CID 112516639
N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide
CID 98135938
N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226600
(4-pyridin-2-ylcyclohexyl)methanamine
CID 82281318
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide
CID 97236069
N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine
CID 115898275

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of 1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine (CID 110241888) is 1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for 1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for 1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine is NCC1CCC(C(NCc2cccc(F)c2)c2ccccn2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is CNKULNYGOMGBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3/c21-18-5-3-4-16(12-18)14-24-20(19-6-1-2-11-23-19)17-9-7-15(13-22)8-10-17/h1-6,11-12,15,17,20,24H,7-10,13-14,22H2.
What are the key properties of 1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine?
1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 327.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)cyclohexyl]-N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 110241888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).