N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine

C15H23ClN2 — CID 104721878

IUPACN-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine
SMILESCc1ccc(NC(CN)C2CCCCC2)cc1Cl
InChIInChI=1S/C15H23ClN2/c1-11-7-8-13(9-14(11)16)18-15(10-17)12-5-3-2-4-6-12/h7-9,12,15,18H,2-6,10,17H2,1H3
InChIKeyVJZWFSYHGHZGEU-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.97
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine

N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine (PubChem CID 104721878) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine
PubChem CID104721878
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine
SMILESCc1ccc(NC(CN)C2CCCCC2)cc1Cl
InChIInChI=1S/C15H23ClN2/c1-11-7-8-13(9-14(11)16)18-15(10-17)12-5-3-2-4-6-12/h7-9,12,15,18H,2-6,10,17H2,1H3
InChIKeyVJZWFSYHGHZGEU-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 104721795
1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738167
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839107
N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
CID 119986768
1-N-(2-amino-1-cyclohexylethyl)-4-nitrobenzene-1,3-diamine
CID 106749961
N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine
CID 104721689
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
1-(5-chloro-2-fluorophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 114843402
(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171204433
1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
CID 106738262

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine (CID 104721878) is N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine is Cc1ccc(NC(CN)C2CCCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine?
The InChIKey is VJZWFSYHGHZGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-7-8-13(9-14(11)16)18-15(10-17)12-5-3-2-4-6-12/h7-9,12,15,18H,2-6,10,17H2,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine?
N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine has a molecular weight of 266.82 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine is sourced from PubChem (CID 104721878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).