2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine

C18H29ClN2 — CID 63501762

IUPAC2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1CCCCC1)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C18H29ClN2/c1-14(13-20-16-9-5-4-6-10-16)21(3)15(2)17-11-7-8-12-18(17)19/h7-8,11-12,14-16,20H,4-6,9-10,13H2,1-3H3
InChIKeyUCYQBIVJLCOGRH-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.64
Rot. Bonds6

About 2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine

2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine (PubChem CID 63501762) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine
PubChem CID63501762
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1CCCCC1)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C18H29ClN2/c1-14(13-20-16-9-5-4-6-10-16)21(3)15(2)17-11-7-8-12-18(17)19/h7-8,11-12,14-16,20H,4-6,9-10,13H2,1-3H3
InChIKeyUCYQBIVJLCOGRH-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 62984217
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087963
2-N-[1-(2-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 63502805
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114763258
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 62411722
N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62108652
N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine
CID 70450840
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62986141
2-N-[1-(2-chlorophenyl)ethyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83054501
2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid
CID 117244167
1-chloro-2-[chloro(cyclohexyl)methyl]benzene
CID 86209125

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine (CID 63501762) is 2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine is CC(CNC1CCCCC1)N(C)C(C)c1ccccc1Cl.
What is the InChIKey of 2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine?
The InChIKey is UCYQBIVJLCOGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-14(13-20-16-9-5-4-6-10-16)21(3)15(2)17-11-7-8-12-18(17)19/h7-8,11-12,14-16,20H,4-6,9-10,13H2,1-3H3.
What are the key properties of 2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine?
2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine has a molecular weight of 308.90 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 63501762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).