N-(3-propoxyphenyl)azepan-4-amine

C15H24N2O — CID 103981177

IUPACN-(3-propoxyphenyl)azepan-4-amine
SMILESCCCOc1cccc(NC2CCCNCC2)c1
InChIInChI=1S/C15H24N2O/c1-2-11-18-15-7-3-5-14(12-15)17-13-6-4-9-16-10-8-13/h3,5,7,12-13,16-17H,2,4,6,8-11H2,1H3
InChIKeyNUOXSOPOBOLISD-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.03
Rot. Bonds5

About N-(3-propoxyphenyl)azepan-4-amine

N-(3-propoxyphenyl)azepan-4-amine (PubChem CID 103981177) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3-propoxyphenyl)azepan-4-amine.

Molecular Properties

Compound NameN-(3-propoxyphenyl)azepan-4-amine
PubChem CID103981177
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3-propoxyphenyl)azepan-4-amine
SMILESCCCOc1cccc(NC2CCCNCC2)c1
InChIInChI=1S/C15H24N2O/c1-2-11-18-15-7-3-5-14(12-15)17-13-6-4-9-16-10-8-13/h3,5,7,12-13,16-17H,2,4,6,8-11H2,1H3
InChIKeyNUOXSOPOBOLISD-UHFFFAOYSA-N
XLogP3.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-propoxyphenyl)azepan-4-amine?
The IUPAC name of N-(3-propoxyphenyl)azepan-4-amine (CID 103981177) is N-(3-propoxyphenyl)azepan-4-amine.
What is the SMILES notation for N-(3-propoxyphenyl)azepan-4-amine?
The canonical SMILES for N-(3-propoxyphenyl)azepan-4-amine is CCCOc1cccc(NC2CCCNCC2)c1.
What is the InChIKey of N-(3-propoxyphenyl)azepan-4-amine?
The InChIKey is NUOXSOPOBOLISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-11-18-15-7-3-5-14(12-15)17-13-6-4-9-16-10-8-13/h3,5,7,12-13,16-17H,2,4,6,8-11H2,1H3.
What are the key properties of N-(3-propoxyphenyl)azepan-4-amine?
N-(3-propoxyphenyl)azepan-4-amine has a molecular weight of 248.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxyphenyl)azepan-4-amine is sourced from PubChem (CID 103981177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).