N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine

C18H28ClN — CID 63477846

IUPACN-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine
SMILESCCC(NC(CC)C1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C18H28ClN/c1-3-17(14-9-6-5-7-10-14)20-18(4-2)15-11-8-12-16(19)13-15/h8,11-14,17-18,20H,3-7,9-10H2,1-2H3
InChIKeyNWFNHSMSCAZJAF-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.74
Rot. Bonds6

About N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine

N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine (PubChem CID 63477846) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine
PubChem CID63477846
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine
SMILESCCC(NC(CC)C1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C18H28ClN/c1-3-17(14-9-6-5-7-10-14)20-18(4-2)15-11-8-12-16(19)13-15/h8,11-14,17-18,20H,3-7,9-10H2,1-2H3
InChIKeyNWFNHSMSCAZJAF-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 63478190
3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 43751330
2-[1-(3-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 112551799
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
N-[1-(3-chlorophenyl)propyl]piperidin-1-amine
CID 83006471
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
CID 43749137

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine (CID 63477846) is N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine is CCC(NC(CC)C1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine?
The InChIKey is NWFNHSMSCAZJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-3-17(14-9-6-5-7-10-14)20-18(4-2)15-11-8-12-16(19)13-15/h8,11-14,17-18,20H,3-7,9-10H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine?
N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine is sourced from PubChem (CID 63477846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).