2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine

C17H28N2O — CID 79050763

IUPAC2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)(C)N2CCCCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-17(2,19-12-6-4-5-7-13-19)16(18)14-8-10-15(20-3)11-9-14/h8-11,16H,4-7,12-13,18H2,1-3H3
InChIKeyQXYCWYTYTQLZCL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.35
Rot. Bonds4

About 2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine

2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine (PubChem CID 79050763) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine
PubChem CID79050763
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)(C)N2CCCCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-17(2,19-12-6-4-5-7-13-19)16(18)14-8-10-15(20-3)11-9-14/h8-11,16H,4-7,12-13,18H2,1-3H3
InChIKeyQXYCWYTYTQLZCL-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051895
2-(azepan-1-yl)-1-(4-chlorophenyl)-2-methylpropan-1-amine
CID 79050777
2-(azepan-1-yl)-1-(3,4-dimethylphenyl)-2-methylpropan-1-amine
CID 79051219
1-(4-methoxyphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051291
1-(3,5-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79045322
[1-(4-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241337
2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine
CID 79051086
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79703609
2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 63272832
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271
2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone
CID 55048012
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine (CID 79050763) is 2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine is COc1ccc(C(N)C(C)(C)N2CCCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is QXYCWYTYTQLZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,19-12-6-4-5-7-13-19)16(18)14-8-10-15(20-3)11-9-14/h8-11,16H,4-7,12-13,18H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine?
2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 79050763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).