1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine

C15H23ClN2 — CID 43180386

IUPAC1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
SMILESCN(C1CCCCC1)C(CN)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2/c1-18(12-7-3-2-4-8-12)15(11-17)13-9-5-6-10-14(13)16/h5-6,9-10,12,15H,2-4,7-8,11,17H2,1H3
InChIKeyQDDHCXQGNNFDOK-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.60
Rot. Bonds4

About 1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine

1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine (PubChem CID 43180386) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
PubChem CID43180386
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
SMILESCN(C1CCCCC1)C(CN)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2/c1-18(12-7-3-2-4-8-12)15(11-17)13-9-5-6-10-14(13)16/h5-6,9-10,12,15H,2-4,7-8,11,17H2,1H3
InChIKeyQDDHCXQGNNFDOK-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine
CID 62413896
N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
CID 79983610
N-cyclohexyl-N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 43079199
N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43266992
1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
CID 55022362
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 43613899
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
2-[1-[cyclohexyl(methyl)amino]propyl]phenol
CID 82974252
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
1-(3-chloro-2-fluorophenyl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 114487766

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine (CID 43180386) is 1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine is CN(C1CCCCC1)C(CN)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine?
The InChIKey is QDDHCXQGNNFDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-18(12-7-3-2-4-8-12)15(11-17)13-9-5-6-10-14(13)16/h5-6,9-10,12,15H,2-4,7-8,11,17H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine?
1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine has a molecular weight of 266.82 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 43180386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).