1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine

C15H25NO3 — CID 103031814

IUPAC1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCOc1cccc(C(N)CCC(C)(C)OC)c1OC
InChIInChI=1S/C15H25NO3/c1-15(2,19-5)10-9-12(16)11-7-6-8-13(17-3)14(11)18-4/h6-8,12H,9-10,16H2,1-5H3
InChIKeyHFJJHZTWYDUDDC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.91
Rot. Bonds7

About 1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine

1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031814) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103031814
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCOc1cccc(C(N)CCC(C)(C)OC)c1OC
InChIInChI=1S/C15H25NO3/c1-15(2,19-5)10-9-12(16)11-7-6-8-13(17-3)14(11)18-4/h6-8,12H,9-10,16H2,1-5H3
InChIKeyHFJJHZTWYDUDDC-UHFFFAOYSA-N
XLogP2.91
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-4-methyl-1-naphthalen-1-ylpentan-1-amine
CID 103031528
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 112693542
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
4,4-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 115850047
1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031433
(1R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171200452
(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171219989
1-(2,3-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105174573
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937
3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 79135373
4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol
CID 103028273

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine (CID 103031814) is 1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine is COc1cccc(C(N)CCC(C)(C)OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is HFJJHZTWYDUDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,19-5)10-9-12(16)11-7-6-8-13(17-3)14(11)18-4/h6-8,12H,9-10,16H2,1-5H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine?
1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).