1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine

C19H30N2 — CID 62405544

IUPAC1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1N1CCCC1)C1CCCCC1
InChIInChI=1S/C19H30N2/c1-16(17-9-3-2-4-10-17)20-15-18-11-5-6-12-19(18)21-13-7-8-14-21/h5-6,11-12,16-17,20H,2-4,7-10,13-15H2,1H3
InChIKeyOHXFWUATOWZFFD-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.35
Rot. Bonds5

About 1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine

1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine (PubChem CID 62405544) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
PubChem CID62405544
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1N1CCCC1)C1CCCCC1
InChIInChI=1S/C19H30N2/c1-16(17-9-3-2-4-10-17)20-15-18-11-5-6-12-19(18)21-13-7-8-14-21/h5-6,11-12,16-17,20H,2-4,7-10,13-15H2,1H3
InChIKeyOHXFWUATOWZFFD-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111925768
N,N-dimethyl-1-[2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-amine
CID 43586297
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 43373123
2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile
CID 114017957

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine (CID 62405544) is 1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine is CC(NCc1ccccc1N1CCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is OHXFWUATOWZFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16(17-9-3-2-4-10-17)20-15-18-11-5-6-12-19(18)21-13-7-8-14-21/h5-6,11-12,16-17,20H,2-4,7-10,13-15H2,1H3.
What are the key properties of 1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine has a molecular weight of 286.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 62405544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).