N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine

C19H30ClN — CID 65425524

IUPACN-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)C1CCC(CCC)CC1
InChIInChI=1S/C19H30ClN/c1-3-7-15-10-12-16(13-11-15)19(21-14-4-2)17-8-5-6-9-18(17)20/h5-6,8-9,15-16,19,21H,3-4,7,10-14H2,1-2H3
InChIKeyCDLCTDJBORNONS-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.99
Rot. Bonds7

About N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine

N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine (PubChem CID 65425524) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine
PubChem CID65425524
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)C1CCC(CCC)CC1
InChIInChI=1S/C19H30ClN/c1-3-7-15-10-12-16(13-11-15)19(21-14-4-2)17-8-5-6-9-18(17)20/h5-6,8-9,15-16,19,21H,3-4,7,10-14H2,1-2H3
InChIKeyCDLCTDJBORNONS-UHFFFAOYSA-N
XLogP5.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394
(2-chlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65422989
[(2,3-dichlorophenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232276
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 29040454
N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine
CID 105157249
N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 43079434
N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65425134
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406
N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
CID 113319474
N-[(3-ethylcyclopentyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 65410648

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine (CID 65425524) is N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccccc1Cl)C1CCC(CCC)CC1.
What is the InChIKey of N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine?
The InChIKey is CDLCTDJBORNONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-3-7-15-10-12-16(13-11-15)19(21-14-4-2)17-8-5-6-9-18(17)20/h5-6,8-9,15-16,19,21H,3-4,7,10-14H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine?
N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine has a molecular weight of 307.91 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 65425524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).