2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine

C16H25ClN2 — CID 62611190

IUPAC2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
SMILESCN(Cc1cccc(Cl)c1)CC1CCCCCC1N
InChIInChI=1S/C16H25ClN2/c1-19(11-13-6-5-8-15(17)10-13)12-14-7-3-2-4-9-16(14)18/h5-6,8,10,14,16H,2-4,7,9,11-12,18H2,1H3
InChIKeyWCGQSOYNZFZBMK-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.68
Rot. Bonds4

About 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine

2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine (PubChem CID 62611190) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
PubChem CID62611190
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
SMILESCN(Cc1cccc(Cl)c1)CC1CCCCCC1N
InChIInChI=1S/C16H25ClN2/c1-19(11-13-6-5-8-15(17)10-13)12-14-7-3-2-4-9-16(14)18/h5-6,8,10,14,16H,2-4,7,9,11-12,18H2,1H3
InChIKeyWCGQSOYNZFZBMK-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine?
The IUPAC name of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine (CID 62611190) is 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine.
What is the SMILES notation for 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine?
The canonical SMILES for 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine is CN(Cc1cccc(Cl)c1)CC1CCCCCC1N.
What is the InChIKey of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine?
The InChIKey is WCGQSOYNZFZBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-19(11-13-6-5-8-15(17)10-13)12-14-7-3-2-4-9-16(14)18/h5-6,8,10,14,16H,2-4,7,9,11-12,18H2,1H3.
What are the key properties of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine?
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine is sourced from PubChem (CID 62611190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).