2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine

C15H24N2S — CID 114238558

IUPAC2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine
SMILESCSC1CCCN(c2ccccc2CCN)CC1
InChIInChI=1S/C15H24N2S/c1-18-14-6-4-11-17(12-9-14)15-7-3-2-5-13(15)8-10-16/h2-3,5,7,14H,4,6,8-12,16H2,1H3
InChIKeySBRFJVFMJWBLNY-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.91
Rot. Bonds4

About 2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine

2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine (PubChem CID 114238558) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine
PubChem CID114238558
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine
SMILESCSC1CCCN(c2ccccc2CCN)CC1
InChIInChI=1S/C15H24N2S/c1-18-14-6-4-11-17(12-9-14)15-7-3-2-5-13(15)8-10-16/h2-3,5,7,14H,4,6,8-12,16H2,1H3
InChIKeySBRFJVFMJWBLNY-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine (CID 114238558) is 2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine is CSC1CCCN(c2ccccc2CCN)CC1.
What is the InChIKey of 2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine?
The InChIKey is SBRFJVFMJWBLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-18-14-6-4-11-17(12-9-14)15-7-3-2-5-13(15)8-10-16/h2-3,5,7,14H,4,6,8-12,16H2,1H3.
What are the key properties of 2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine?
2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine has a molecular weight of 264.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine is sourced from PubChem (CID 114238558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).