1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine

C15H23ClN2 — CID 63624469

IUPAC1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCCC(C)CC1
InChIInChI=1S/C15H23ClN2/c1-12-5-4-9-18(10-8-12)15-7-3-6-14(16)13(15)11-17-2/h3,6-7,12,17H,4-5,8-11H2,1-2H3
InChIKeyQTKFJVGNSMDUMM-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.69
Rot. Bonds3

About 1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine

1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine (PubChem CID 63624469) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
PubChem CID63624469
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCCC(C)CC1
InChIInChI=1S/C15H23ClN2/c1-12-5-4-9-18(10-8-12)15-7-3-6-14(16)13(15)11-17-2/h3,6-7,12,17H,4-5,8-11H2,1-2H3
InChIKeyQTKFJVGNSMDUMM-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine (CID 63624469) is 1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1N1CCCC(C)CC1.
What is the InChIKey of 1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is QTKFJVGNSMDUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12-5-4-9-18(10-8-12)15-7-3-6-14(16)13(15)11-17-2/h3,6-7,12,17H,4-5,8-11H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine?
1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63624469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).