1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine

C16H25ClN2 — CID 43613871

IUPAC1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
SMILESCN(C1CCCCCC1)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-19(15-9-4-2-3-5-10-15)16(12-18)13-7-6-8-14(17)11-13/h6-8,11,15-16H,2-5,9-10,12,18H2,1H3
InChIKeyXQKDZSZYZJLASQ-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.99
Rot. Bonds4

About 1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine

1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine (PubChem CID 43613871) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
PubChem CID43613871
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
SMILESCN(C1CCCCCC1)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-19(15-9-4-2-3-5-10-15)16(12-18)13-7-6-8-14(17)11-13/h6-8,11,15-16H,2-5,9-10,12,18H2,1H3
InChIKeyXQKDZSZYZJLASQ-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 16783993
N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 113328796
1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568892
1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43266968
N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524228
1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62001665
N-cyclohexyl-N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 43079199
N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 43613899
1-(3-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55020028

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine (CID 43613871) is 1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine is CN(C1CCCCCC1)C(CN)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine?
The InChIKey is XQKDZSZYZJLASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-19(15-9-4-2-3-5-10-15)16(12-18)13-7-6-8-14(17)11-13/h6-8,11,15-16H,2-5,9-10,12,18H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine?
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine has a molecular weight of 280.84 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 43613871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).