N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine

C16H25ClN2 — CID 61416900

IUPACN-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1Cl)C(CN)C1CCCCC1
InChIInChI=1S/C16H25ClN2/c1-19(12-14-9-5-6-10-15(14)17)16(11-18)13-7-3-2-4-8-13/h5-6,9-10,13,16H,2-4,7-8,11-12,18H2,1H3
InChIKeyBERFURJIJYEPOV-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.68
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine (PubChem CID 61416900) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine
PubChem CID61416900
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1Cl)C(CN)C1CCCCC1
InChIInChI=1S/C16H25ClN2/c1-19(12-14-9-5-6-10-15(14)17)16(11-18)13-7-3-2-4-8-13/h5-6,9-10,13,16H,2-4,7-8,11-12,18H2,1H3
InChIKeyBERFURJIJYEPOV-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61417418
1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527381
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087963
1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 62071760
2-[(2-chlorophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 46801701
1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine
CID 116652443
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 62411722
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol
CID 103159801
N,N-dibenzyl-1-cyclopentylethane-1,2-diamine
CID 130158926
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 61416802

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine (CID 61416900) is N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine is CN(Cc1ccccc1Cl)C(CN)C1CCCCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine?
The InChIKey is BERFURJIJYEPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-19(12-14-9-5-6-10-15(14)17)16(11-18)13-7-3-2-4-8-13/h5-6,9-10,13,16H,2-4,7-8,11-12,18H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine?
N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine has a molecular weight of 280.84 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 61416900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).