2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine

C16H24ClN — CID 63528651

IUPAC2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)C1CCCCCC1
InChIInChI=1S/C16H24ClN/c1-18-16(14-8-4-2-3-5-9-14)12-13-7-6-10-15(17)11-13/h6-7,10-11,14,16,18H,2-5,8-9,12H2,1H3
InChIKeyCRMUAKAPRDXNPZ-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.44
Rot. Bonds4

About 2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine

2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine (PubChem CID 63528651) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
PubChem CID63528651
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)C1CCCCCC1
InChIInChI=1S/C16H24ClN/c1-18-16(14-8-4-2-3-5-9-14)12-13-7-6-10-15(17)11-13/h6-7,10-11,14,16,18H,2-5,8-9,12H2,1H3
InChIKeyCRMUAKAPRDXNPZ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105085979
[2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105195049
2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114216197
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63355001
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
CID 63528999
N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
CID 66147681
2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82931115
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine (CID 63528651) is 2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine is CNC(Cc1cccc(Cl)c1)C1CCCCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine?
The InChIKey is CRMUAKAPRDXNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-18-16(14-8-4-2-3-5-9-14)12-13-7-6-10-15(17)11-13/h6-7,10-11,14,16,18H,2-5,8-9,12H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine?
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine has a molecular weight of 265.83 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine is sourced from PubChem (CID 63528651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).