1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine

C15H23ClN2 — CID 79459034

IUPAC1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine
SMILESCC(Cc1cccc(Cl)c1)NC1CCCC(N)C1
InChIInChI=1S/C15H23ClN2/c1-11(8-12-4-2-5-13(16)9-12)18-15-7-3-6-14(17)10-15/h2,4-5,9,11,14-15,18H,3,6-8,10,17H2,1H3
InChIKeyXKFNLTFRGXYBCS-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.13
Rot. Bonds4

About 1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine

1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine (PubChem CID 79459034) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine
PubChem CID79459034
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine
SMILESCC(Cc1cccc(Cl)c1)NC1CCCC(N)C1
InChIInChI=1S/C15H23ClN2/c1-11(8-12-4-2-5-13(16)9-12)18-15-7-3-6-14(17)10-15/h2,4-5,9,11,14-15,18H,3,6-8,10,17H2,1H3
InChIKeyXKFNLTFRGXYBCS-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
4-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79724820
N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine
CID 65081836
N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine
CID 43694783
N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 54981472
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80705084
N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115713569
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568
N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79860721
2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine
CID 43694786
3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol
CID 113260471
N-(1-phenylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448510

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine (CID 79459034) is 1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine is CC(Cc1cccc(Cl)c1)NC1CCCC(N)C1.
What is the InChIKey of 1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine?
The InChIKey is XKFNLTFRGXYBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(8-12-4-2-5-13(16)9-12)18-15-7-3-6-14(17)10-15/h2,4-5,9,11,14-15,18H,3,6-8,10,17H2,1H3.
What are the key properties of 1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine?
1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine has a molecular weight of 266.82 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79459034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).