4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine

C16H26N2O — CID 55205489

IUPAC4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
SMILESCC1CN(CCCC(N)c2ccccc2)CCCO1
InChIInChI=1S/C16H26N2O/c1-14-13-18(11-6-12-19-14)10-5-9-16(17)15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13,17H2,1H3
InChIKeyNKPQCEHGFGYAMR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.58
Rot. Bonds5

About 4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine

4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine (PubChem CID 55205489) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
PubChem CID55205489
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
SMILESCC1CN(CCCC(N)c2ccccc2)CCCO1
InChIInChI=1S/C16H26N2O/c1-14-13-18(11-6-12-19-14)10-5-9-16(17)15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13,17H2,1H3
InChIKeyNKPQCEHGFGYAMR-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline
CID 62966555
6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine
CID 106799763
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-one
CID 55153161
N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine
CID 62986930
6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine
CID 62986916
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline
CID 62987901
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine
CID 63322069
2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62986559
[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine
CID 81322728
1-(3,4-dimethylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988665
1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine
CID 63321943

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine?
The IUPAC name of 4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine (CID 55205489) is 4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine.
What is the SMILES notation for 4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine?
The canonical SMILES for 4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine is CC1CN(CCCC(N)c2ccccc2)CCCO1.
What is the InChIKey of 4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine?
The InChIKey is NKPQCEHGFGYAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-13-18(11-6-12-19-14)10-5-9-16(17)15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13,17H2,1H3.
What are the key properties of 4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine?
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine is sourced from PubChem (CID 55205489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).