1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine

C17H27NO2 — CID 83056985

IUPAC1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCOc1c(C)cc(C(N)CCC2CCCCO2)cc1C
InChIInChI=1S/C17H27NO2/c1-12-10-14(11-13(2)17(12)19-3)16(18)8-7-15-6-4-5-9-20-15/h10-11,15-16H,4-9,18H2,1-3H3
InChIKeyQTINUKFVIDHKCD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine

1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 83056985) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
PubChem CID83056985
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCOc1c(C)cc(C(N)CCC2CCCCO2)cc1C
InChIInChI=1S/C17H27NO2/c1-12-10-14(11-13(2)17(12)19-3)16(18)8-7-15-6-4-5-9-20-15/h10-11,15-16H,4-9,18H2,1-3H3
InChIKeyQTINUKFVIDHKCD-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-3-(4-methoxy-3,5-dimethylphenyl)propyl]oxane
CID 83067757
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 63952126
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953943
1-(2-bromo-4,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953532
1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 106877357
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane
CID 83068363
1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953738

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine (CID 83056985) is 1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine is COc1c(C)cc(C(N)CCC2CCCCO2)cc1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is QTINUKFVIDHKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-10-14(11-13(2)17(12)19-3)16(18)8-7-15-6-4-5-9-20-15/h10-11,15-16H,4-9,18H2,1-3H3.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine?
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 83056985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).