1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine

C18H30N2 — CID 115994785

IUPAC1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1N1CCCCCC1
InChIInChI=1S/C18H30N2/c1-3-13-19-17(4-2)16-11-7-8-12-18(16)20-14-9-5-6-10-15-20/h7-8,11-12,17,19H,3-6,9-10,13-15H2,1-2H3
InChIKeyAMBWRUOIMAJPLL-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.52
Rot. Bonds6

About 1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine

1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine (PubChem CID 115994785) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
PubChem CID115994785
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1N1CCCCCC1
InChIInChI=1S/C18H30N2/c1-3-13-19-17(4-2)16-11-7-8-12-18(16)20-14-9-5-6-10-15-20/h7-8,11-12,17,19H,3-6,9-10,13-15H2,1-2H3
InChIKeyAMBWRUOIMAJPLL-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
1-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994832
1-(2-morpholin-4-ylphenyl)-N-propylpropan-1-amine
CID 112677731
N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
CID 43284031
N-[1-(2-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 43284321
1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 112677950
1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995308
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 112677727
1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995156
1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine
CID 112678315

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine (CID 115994785) is 1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1N1CCCCCC1.
What is the InChIKey of 1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine?
The InChIKey is AMBWRUOIMAJPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-13-19-17(4-2)16-11-7-8-12-18(16)20-14-9-5-6-10-15-20/h7-8,11-12,17,19H,3-6,9-10,13-15H2,1-2H3.
What are the key properties of 1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine?
1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115994785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).