[2-(azocan-1-yl)-6-chlorophenyl]methanamine

C14H21ClN2 — CID 28965332

IUPAC[2-(azocan-1-yl)-6-chlorophenyl]methanamine
SMILESNCc1c(Cl)cccc1N1CCCCCCC1
InChIInChI=1S/C14H21ClN2/c15-13-7-6-8-14(12(13)11-16)17-9-4-2-1-3-5-10-17/h6-8H,1-5,9-11,16H2
InChIKeyGHNPSUJBTFVIKM-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.57
Rot. Bonds2

About [2-(azocan-1-yl)-6-chlorophenyl]methanamine

[2-(azocan-1-yl)-6-chlorophenyl]methanamine (PubChem CID 28965332) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is [2-(azocan-1-yl)-6-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-(azocan-1-yl)-6-chlorophenyl]methanamine
PubChem CID28965332
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name[2-(azocan-1-yl)-6-chlorophenyl]methanamine
SMILESNCc1c(Cl)cccc1N1CCCCCCC1
InChIInChI=1S/C14H21ClN2/c15-13-7-6-8-14(12(13)11-16)17-9-4-2-1-3-5-10-17/h6-8H,1-5,9-11,16H2
InChIKeyGHNPSUJBTFVIKM-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine
CID 65283852
[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
CID 43581765
O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine
CID 117111225
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]methanamine
CID 62091270
(2-cyclobutyloxy-6-piperidin-1-ylphenyl)methanamine
CID 118156691
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611
2-(azocan-1-yl)-6-chlorobenzenecarbothioamide
CID 62502107
2-(2-fluoro-6-piperidin-1-ylphenyl)ethanamine
CID 82286983
2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine
CID 82291720
[2-(2-methoxyphenoxy)-6-piperidin-1-ylphenyl]methanamine
CID 118156701
N-[[2-(azepan-1-yl)-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63566563

Frequently Asked Questions

What is the IUPAC name of [2-(azocan-1-yl)-6-chlorophenyl]methanamine?
The IUPAC name of [2-(azocan-1-yl)-6-chlorophenyl]methanamine (CID 28965332) is [2-(azocan-1-yl)-6-chlorophenyl]methanamine.
What is the SMILES notation for [2-(azocan-1-yl)-6-chlorophenyl]methanamine?
The canonical SMILES for [2-(azocan-1-yl)-6-chlorophenyl]methanamine is NCc1c(Cl)cccc1N1CCCCCCC1.
What is the InChIKey of [2-(azocan-1-yl)-6-chlorophenyl]methanamine?
The InChIKey is GHNPSUJBTFVIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c15-13-7-6-8-14(12(13)11-16)17-9-4-2-1-3-5-10-17/h6-8H,1-5,9-11,16H2.
What are the key properties of [2-(azocan-1-yl)-6-chlorophenyl]methanamine?
[2-(azocan-1-yl)-6-chlorophenyl]methanamine has a molecular weight of 252.79 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azocan-1-yl)-6-chlorophenyl]methanamine is sourced from PubChem (CID 28965332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).