4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine

C15H23ClN2 — CID 62314574

IUPAC4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
SMILESCCC(NC1CCC(N)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-2-15(11-4-3-5-12(16)10-11)18-14-8-6-13(17)7-9-14/h3-5,10,13-15,18H,2,6-9,17H2,1H3
InChIKeyYHMGQESNHVMBBO-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.65
Rot. Bonds4

About 4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine

4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine (PubChem CID 62314574) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
PubChem CID62314574
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
SMILESCCC(NC1CCC(N)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-2-15(11-4-3-5-12(16)10-11)18-14-8-6-13(17)7-9-14/h3-5,10,13-15,18H,2,6-9,17H2,1H3
InChIKeyYHMGQESNHVMBBO-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine
CID 83821384
3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 43751330
N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998685
N-[1-(3-chlorophenyl)propyl]thian-3-amine
CID 62873445
3-[1-(3-chlorophenyl)propylamino]cyclohexane-1-carboxylic acid
CID 65066383
2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100
N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358685
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963
N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine
CID 63477846

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine (CID 62314574) is 4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine is CCC(NC1CCC(N)CC1)c1cccc(Cl)c1.
What is the InChIKey of 4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine?
The InChIKey is YHMGQESNHVMBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-15(11-4-3-5-12(16)10-11)18-14-8-6-13(17)7-9-14/h3-5,10,13-15,18H,2,6-9,17H2,1H3.
What are the key properties of 4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine?
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine has a molecular weight of 266.82 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62314574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).