2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine

C16H26N2 — CID 28807053

IUPAC2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C16H26N2/c1-16(2,13-17)14-7-9-15(10-8-14)18-11-5-3-4-6-12-18/h7-10H,3-6,11-13,17H2,1-2H3
InChIKeyWJUAOWZZCGFTHY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.30
Rot. Bonds3

About 2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine

2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine (PubChem CID 28807053) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine
PubChem CID28807053
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C16H26N2/c1-16(2,13-17)14-7-9-15(10-8-14)18-11-5-3-4-6-12-18/h7-10H,3-6,11-13,17H2,1-2H3
InChIKeyWJUAOWZZCGFTHY-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3,3-dimethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine
CID 79687839
2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine
CID 79686472
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N-methyl-2-(4-piperidin-1-ylphenyl)propan-2-amine
CID 170240891
2-methyl-2-[4-(2-methylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 79686677
3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine
CID 117047478
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 63339792
ethanamine;4-piperidin-1-ylpyridin-1-ium
CID 142565329
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine
CID 117400102

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine (CID 28807053) is 2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine is CC(C)(CN)c1ccc(N2CCCCCC2)cc1.
What is the InChIKey of 2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine?
The InChIKey is WJUAOWZZCGFTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,13-17)14-7-9-15(10-8-14)18-11-5-3-4-6-12-18/h7-10H,3-6,11-13,17H2,1-2H3.
What are the key properties of 2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine?
2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 28807053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).