1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine

C14H21ClN2 — CID 43267005

IUPAC1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
SMILESCN(C1CCCC1)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-17(13-4-2-3-5-13)14(10-16)11-6-8-12(15)9-7-11/h6-9,13-14H,2-5,10,16H2,1H3
InChIKeyMGNQDMZFOQDBIF-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.21
Rot. Bonds4

About 1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine

1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine (PubChem CID 43267005) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
PubChem CID43267005
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
SMILESCN(C1CCCC1)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-17(13-4-2-3-5-13)14(10-16)11-6-8-12(15)9-7-11/h6-9,13-14H,2-5,10,16H2,1H3
InChIKeyMGNQDMZFOQDBIF-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524228
N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 16783993
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43266968
N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 43264750
1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568908
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61438895
1-(4-fluorophenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61444270
N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 61439510
1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610889

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine (CID 43267005) is 1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine is CN(C1CCCC1)C(CN)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine?
The InChIKey is MGNQDMZFOQDBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-17(13-4-2-3-5-13)14(10-16)11-6-8-12(15)9-7-11/h6-9,13-14H,2-5,10,16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine?
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine has a molecular weight of 252.79 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 43267005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).