2-[(2-chlorophenyl)methyl]-2-methylazepane

C14H20ClN — CID 79119375

IUPAC2-[(2-chlorophenyl)methyl]-2-methylazepane
SMILESCC1(Cc2ccccc2Cl)CCCCCN1
InChIInChI=1S/C14H20ClN/c1-14(9-5-2-6-10-16-14)11-12-7-3-4-8-13(12)15/h3-4,7-8,16H,2,5-6,9-11H2,1H3
InChIKeyUZGVPGPQWSMOJL-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.80
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-2-methylazepane

2-[(2-chlorophenyl)methyl]-2-methylazepane (PubChem CID 79119375) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-2-methylazepane.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-2-methylazepane
PubChem CID79119375
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-[(2-chlorophenyl)methyl]-2-methylazepane
SMILESCC1(Cc2ccccc2Cl)CCCCCN1
InChIInChI=1S/C14H20ClN/c1-14(9-5-2-6-10-16-14)11-12-7-3-4-8-13(12)15/h3-4,7-8,16H,2,5-6,9-11H2,1H3
InChIKeyUZGVPGPQWSMOJL-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-2-methylazepane?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-2-methylazepane (CID 79119375) is 2-[(2-chlorophenyl)methyl]-2-methylazepane.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-2-methylazepane?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-2-methylazepane is CC1(Cc2ccccc2Cl)CCCCCN1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-2-methylazepane?
The InChIKey is UZGVPGPQWSMOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-14(9-5-2-6-10-16-14)11-12-7-3-4-8-13(12)15/h3-4,7-8,16H,2,5-6,9-11H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-2-methylazepane?
2-[(2-chlorophenyl)methyl]-2-methylazepane has a molecular weight of 237.77 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-2-methylazepane is sourced from PubChem (CID 79119375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).