N-(3-propan-2-ylphenyl)oxepan-4-amine

C15H23NO — CID 65076670

IUPACN-(3-propan-2-ylphenyl)oxepan-4-amine
SMILESCC(C)c1cccc(NC2CCCOCC2)c1
InChIInChI=1S/C15H23NO/c1-12(2)13-5-3-6-15(11-13)16-14-7-4-9-17-10-8-14/h3,5-6,11-12,14,16H,4,7-10H2,1-2H3
InChIKeyDOMBAVMBOPYGCF-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.79
Rot. Bonds3

About N-(3-propan-2-ylphenyl)oxepan-4-amine

N-(3-propan-2-ylphenyl)oxepan-4-amine (PubChem CID 65076670) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(3-propan-2-ylphenyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(3-propan-2-ylphenyl)oxepan-4-amine
PubChem CID65076670
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-(3-propan-2-ylphenyl)oxepan-4-amine
SMILESCC(C)c1cccc(NC2CCCOCC2)c1
InChIInChI=1S/C15H23NO/c1-12(2)13-5-3-6-15(11-13)16-14-7-4-9-17-10-8-14/h3,5-6,11-12,14,16H,4,7-10H2,1-2H3
InChIKeyDOMBAVMBOPYGCF-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylsulfanylphenyl)oxepan-4-amine
CID 65076766
N-(3-propan-2-ylphenyl)azepan-4-amine
CID 113361401
N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43768982
N-(3-methoxycyclobutyl)-3-propan-2-ylaniline
CID 104870345
N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512915
N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
CID 64731999
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
N-(3,5-dimethylphenyl)oxepan-4-amine
CID 65076882
N-(3-bromophenyl)oxan-4-amine
CID 43608425
N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline
CID 63421494
2-[3-(oxepan-4-ylamino)phenoxy]acetonitrile
CID 65081691
N-(2-methylcyclohexyl)-3-propan-2-ylaniline
CID 43101451

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylphenyl)oxepan-4-amine?
The IUPAC name of N-(3-propan-2-ylphenyl)oxepan-4-amine (CID 65076670) is N-(3-propan-2-ylphenyl)oxepan-4-amine.
What is the SMILES notation for N-(3-propan-2-ylphenyl)oxepan-4-amine?
The canonical SMILES for N-(3-propan-2-ylphenyl)oxepan-4-amine is CC(C)c1cccc(NC2CCCOCC2)c1.
What is the InChIKey of N-(3-propan-2-ylphenyl)oxepan-4-amine?
The InChIKey is DOMBAVMBOPYGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)13-5-3-6-15(11-13)16-14-7-4-9-17-10-8-14/h3,5-6,11-12,14,16H,4,7-10H2,1-2H3.
What are the key properties of N-(3-propan-2-ylphenyl)oxepan-4-amine?
N-(3-propan-2-ylphenyl)oxepan-4-amine has a molecular weight of 233.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylphenyl)oxepan-4-amine is sourced from PubChem (CID 65076670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).