1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine

C16H25NO3 — CID 105013577

IUPAC1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCOc1cc(OC)cc(C(N)CCC2CCCCO2)c1
InChIInChI=1S/C16H25NO3/c1-18-14-9-12(10-15(11-14)19-2)16(17)7-6-13-5-3-4-8-20-13/h9-11,13,16H,3-8,17H2,1-2H3
InChIKeyKBSCREGVMBRECD-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.05
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine

1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 105013577) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
PubChem CID105013577
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCOc1cc(OC)cc(C(N)CCC2CCCCO2)c1
InChIInChI=1S/C16H25NO3/c1-18-14-9-12(10-15(11-14)19-2)16(17)7-6-13-5-3-4-8-20-13/h9-11,13,16H,3-8,17H2,1-2H3
InChIKeyKBSCREGVMBRECD-UHFFFAOYSA-N
XLogP3.05
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol
CID 115821691
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
1-(2-bromo-4,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953532
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 63952126
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxane
CID 63953795
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953943
1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 106877357
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 115785484
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 103394442

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine (CID 105013577) is 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine is COc1cc(OC)cc(C(N)CCC2CCCCO2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is KBSCREGVMBRECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-14-9-12(10-15(11-14)19-2)16(17)7-6-13-5-3-4-8-20-13/h9-11,13,16H,3-8,17H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine?
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 105013577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).