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

C15H23ClN2 — CID 63783611

IUPAC2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
SMILESCC1CCCN(c2cccc(Cl)c2CCN)CC1
InChIInChI=1S/C15H23ClN2/c1-12-4-3-10-18(11-8-12)15-6-2-5-14(16)13(15)7-9-17/h2,5-6,12H,3-4,7-11,17H2,1H3
InChIKeyAQCWZPVAYAADOU-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.47
Rot. Bonds3

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

2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine (PubChem CID 63783611) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
PubChem CID63783611
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
SMILESCC1CCCN(c2cccc(Cl)c2CCN)CC1
InChIInChI=1S/C15H23ClN2/c1-12-4-3-10-18(11-8-12)15-6-2-5-14(16)13(15)7-9-17/h2,5-6,12H,3-4,7-11,17H2,1H3
InChIKeyAQCWZPVAYAADOU-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 63624469
2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine
CID 63782919
2-[2-chloro-6-(4,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 55236775
2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 63783024
2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine
CID 63787232
N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 43280259
1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63784820
1-[3-chloro-2-(chloromethyl)phenyl]-3-methylpiperidine
CID 43121145
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine
CID 63782406
2-chloro-N'-hydroxy-6-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77002018
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine (CID 63783611) is 2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine is CC1CCCN(c2cccc(Cl)c2CCN)CC1.
What is the InChIKey of 2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine?
The InChIKey is AQCWZPVAYAADOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12-4-3-10-18(11-8-12)15-6-2-5-14(16)13(15)7-9-17/h2,5-6,12H,3-4,7-11,17H2,1H3.
What are the key properties of 2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine?
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63783611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).