1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine

C16H24ClN — CID 65082267

IUPAC1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(N)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN/c1-2-13-6-5-10-16(18,11-9-13)12-14-7-3-4-8-15(14)17/h3-4,7-8,13H,2,5-6,9-12,18H2,1H3
InChIKeyNXOIQSNHXQOYLC-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.57
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine

1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine (PubChem CID 65082267) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine
PubChem CID65082267
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(N)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN/c1-2-13-6-5-10-16(18,11-9-13)12-14-7-3-4-8-15(14)17/h3-4,7-8,13H,2,5-6,9-12,18H2,1H3
InChIKeyNXOIQSNHXQOYLC-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388
1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
CID 23106132
1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086943
1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090405
4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine
CID 65082624
1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513879
1-(2-chlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514342
3-ethyl-1-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64514568
1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene
CID 67782354
6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine
CID 79331696
1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 114012587
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine (CID 65082267) is 1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine is CCC1CCCC(N)(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine?
The InChIKey is NXOIQSNHXQOYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-2-13-6-5-10-16(18,11-9-13)12-14-7-3-4-8-15(14)17/h3-4,7-8,13H,2,5-6,9-12,18H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine?
1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 65082267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).