1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine

C16H25NO2 — CID 63950936

IUPAC1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCOc1ccc(C)cc1C(N)CCC1CCCCO1
InChIInChI=1S/C16H25NO2/c1-12-6-9-16(18-2)14(11-12)15(17)8-7-13-5-3-4-10-19-13/h6,9,11,13,15H,3-5,7-8,10,17H2,1-2H3
InChIKeyLVTQADPGMMYFRS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.35
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine

1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 63950936) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
PubChem CID63950936
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCOc1ccc(C)cc1C(N)CCC1CCCCO1
InChIInChI=1S/C16H25NO2/c1-12-6-9-16(18-2)14(11-12)15(17)8-7-13-5-3-4-10-19-13/h6,9,11,13,15H,3-5,7-8,10,17H2,1-2H3
InChIKeyLVTQADPGMMYFRS-UHFFFAOYSA-N
XLogP3.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953943
1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158286
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-(5-bromo-4-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 103394442
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993214
1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 63953787
1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953131
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine (CID 63950936) is 1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine is COc1ccc(C)cc1C(N)CCC1CCCCO1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is LVTQADPGMMYFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-9-16(18-2)14(11-12)15(17)8-7-13-5-3-4-10-19-13/h6,9,11,13,15H,3-5,7-8,10,17H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine?
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 63950936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).