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

C11H17NO — CID 83696098

IUPAC2-(3-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1cc(C)cc(C(C)CN)c1
InChIInChI=1S/C11H17NO/c1-8-4-10(9(2)7-12)6-11(5-8)13-3/h4-6,9H,7,12H2,1-3H3
InChIKeyDYPVQTDCEZSYPK-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.07
Rot. Bonds3

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

2-(3-methoxy-5-methylphenyl)propan-1-amine (PubChem CID 83696098) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(3-methoxy-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methoxy-5-methylphenyl)propan-1-amine
PubChem CID83696098
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(3-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1cc(C)cc(C(C)CN)c1
InChIInChI=1S/C11H17NO/c1-8-4-10(9(2)7-12)6-11(5-8)13-3/h4-6,9H,7,12H2,1-3H3
InChIKeyDYPVQTDCEZSYPK-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)propan-1-amine
CID 79003874
3-(3-methoxy-5-methylphenyl)butanal
CID 117283133
3-(1-aminopropan-2-yl)-5-methylphenol
CID 83694991
(1R,2S)-1-amino-1-(3-methoxy-5-methylphenyl)propan-2-ol
CID 130641890
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
CID 117299386
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate
CID 22600125
2-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783199
4-[3-methyl-5-(trifluoromethoxy)phenyl]pentan-1-amine
CID 90212710
1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene
CID 54392795

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-methylphenyl)propan-1-amine?
The IUPAC name of 2-(3-methoxy-5-methylphenyl)propan-1-amine (CID 83696098) is 2-(3-methoxy-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-methoxy-5-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-methoxy-5-methylphenyl)propan-1-amine is COc1cc(C)cc(C(C)CN)c1.
What is the InChIKey of 2-(3-methoxy-5-methylphenyl)propan-1-amine?
The InChIKey is DYPVQTDCEZSYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-10(9(2)7-12)6-11(5-8)13-3/h4-6,9H,7,12H2,1-3H3.
What are the key properties of 2-(3-methoxy-5-methylphenyl)propan-1-amine?
2-(3-methoxy-5-methylphenyl)propan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 83696098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).