3-(2-methoxyphenyl)-N-methylpentan-3-amine

C13H21NO — CID 163486951

IUPAC3-(2-methoxyphenyl)-N-methylpentan-3-amine
SMILESCCC(CC)(NC)c1ccccc1OC
InChIInChI=1S/C13H21NO/c1-5-13(6-2,14-3)11-9-7-8-10-12(11)15-4/h7-10,14H,5-6H2,1-4H3
InChIKeyCJIWQVRQNQQBHO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.93
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-methylpentan-3-amine

3-(2-methoxyphenyl)-N-methylpentan-3-amine (PubChem CID 163486951) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-methylpentan-3-amine
PubChem CID163486951
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(2-methoxyphenyl)-N-methylpentan-3-amine
SMILESCCC(CC)(NC)c1ccccc1OC
InChIInChI=1S/C13H21NO/c1-5-13(6-2,14-3)11-9-7-8-10-12(11)15-4/h7-10,14H,5-6H2,1-4H3
InChIKeyCJIWQVRQNQQBHO-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
3-(2-methoxyphenyl)-3-(methylamino)butanamide
CID 65236411
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine
CID 10082529
N-ethyl-4-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 64718083
2-(2-fluorophenyl)-2-(methylamino)butan-1-ol
CID 112679658
1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 105468433
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine
CID 12926477

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-methylpentan-3-amine?
The IUPAC name of 3-(2-methoxyphenyl)-N-methylpentan-3-amine (CID 163486951) is 3-(2-methoxyphenyl)-N-methylpentan-3-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-methylpentan-3-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-N-methylpentan-3-amine is CCC(CC)(NC)c1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenyl)-N-methylpentan-3-amine?
The InChIKey is CJIWQVRQNQQBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-13(6-2,14-3)11-9-7-8-10-12(11)15-4/h7-10,14H,5-6H2,1-4H3.
What are the key properties of 3-(2-methoxyphenyl)-N-methylpentan-3-amine?
3-(2-methoxyphenyl)-N-methylpentan-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-methylpentan-3-amine is sourced from PubChem (CID 163486951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).