3-methoxy-2-phenylpropan-1-amine

C10H15NO — CID 66968828

IUPAC3-methoxy-2-phenylpropan-1-amine
SMILESCOCC(CN)c1ccccc1
InChIInChI=1S/C10H15NO/c1-12-8-10(7-11)9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3
InChIKeyGKDQZBQRSSJNHT-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.38
Rot. Bonds4

About 3-methoxy-2-phenylpropan-1-amine

3-methoxy-2-phenylpropan-1-amine (PubChem CID 66968828) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-methoxy-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-phenylpropan-1-amine
PubChem CID66968828
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-methoxy-2-phenylpropan-1-amine
SMILESCOCC(CN)c1ccccc1
InChIInChI=1S/C10H15NO/c1-12-8-10(7-11)9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3
InChIKeyGKDQZBQRSSJNHT-UHFFFAOYSA-N
XLogP1.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-chloro-3-methoxypropan-2-yl)benzene
CID 103985106
bis(3-methoxy-2-phenylpropyl) carbonate
CID 141468293
3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 117245008
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
(3-amino-2-phenylpropyl) 2-aminoacetate
CID 174564415
2-phenylpentan-1-amine
CID 14321247
3-(2-ethylphenoxy)-2-phenylpropan-1-amine
CID 112516482
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421
2-phenylbutane-1,4-diamine
CID 16770348
O-(2-methoxy-1-phenylethyl)hydroxylamine
CID 14103730
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenylpropan-1-amine?
The IUPAC name of 3-methoxy-2-phenylpropan-1-amine (CID 66968828) is 3-methoxy-2-phenylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2-phenylpropan-1-amine?
The canonical SMILES for 3-methoxy-2-phenylpropan-1-amine is COCC(CN)c1ccccc1.
What is the InChIKey of 3-methoxy-2-phenylpropan-1-amine?
The InChIKey is GKDQZBQRSSJNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-12-8-10(7-11)9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3.
What are the key properties of 3-methoxy-2-phenylpropan-1-amine?
3-methoxy-2-phenylpropan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenylpropan-1-amine is sourced from PubChem (CID 66968828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).