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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Related Compounds

N-(4-propoxyphenyl)piperidin-4-amine
CID 62327639
1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine
CID 43693787
1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine
CID 79458462
3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753647
N-[3-(2-methoxyethoxy)phenyl]pyrrolidin-3-amine
CID 79731567
N-(3-butan-2-yloxyphenyl)piperidin-4-amine
CID 62325027
N-(3-ethylcyclopentyl)-3-propoxyaniline
CID 64501066
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine
CID 79731504
1,1-dioxo-N-(3-propoxyphenyl)thian-3-amine
CID 63909303
N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
CID 54864785
N-(3-chlorophenyl)azepan-4-amine
CID 105482710
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187

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).