1-methoxy-1-phenylpropan-1-amine

C10H15NO — CID 67818212

IUPAC1-methoxy-1-phenylpropan-1-amine
SMILESCCC(N)(OC)c1ccccc1
InChIInChI=1S/C10H15NO/c1-3-10(11,12-2)9-7-5-4-6-8-9/h4-8H,3,11H2,1-2H3
InChIKeyAOKRYMDNSXORQU-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.85
Rot. Bonds3

About 1-methoxy-1-phenylpropan-1-amine

1-methoxy-1-phenylpropan-1-amine (PubChem CID 67818212) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-methoxy-1-phenylpropan-1-amine.

Molecular Properties

Compound Name1-methoxy-1-phenylpropan-1-amine
PubChem CID67818212
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-methoxy-1-phenylpropan-1-amine
SMILESCCC(N)(OC)c1ccccc1
InChIInChI=1S/C10H15NO/c1-3-10(11,12-2)9-7-5-4-6-8-9/h4-8H,3,11H2,1-2H3
InChIKeyAOKRYMDNSXORQU-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
1-phenyl-1-thiophen-3-ylpropan-1-amine
CID 65100038
1-phenyl-1-propan-2-yloxyethane-1,2-diamine
CID 91418731
3,3,4,5,5-pentamethylheptan-4-ylbenzene
CID 144815892
1,1,2-trifluoro-1-phenylbutan-2-amine
CID 71076868
3-phenylhexan-3-amine
CID 60794511
3-phenylpentan-3-amine;2-phenylpropan-2-amine
CID 67930723
(2S)-2-phenylhexan-2-amine
CID 10889241
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
3-(chloromethyl)pentan-3-ylbenzene
CID 65439114
(3-ethyl-4,4-dimethylhexan-3-yl)benzene
CID 147184303
N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599769

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-phenylpropan-1-amine?
The IUPAC name of 1-methoxy-1-phenylpropan-1-amine (CID 67818212) is 1-methoxy-1-phenylpropan-1-amine.
What is the SMILES notation for 1-methoxy-1-phenylpropan-1-amine?
The canonical SMILES for 1-methoxy-1-phenylpropan-1-amine is CCC(N)(OC)c1ccccc1.
What is the InChIKey of 1-methoxy-1-phenylpropan-1-amine?
The InChIKey is AOKRYMDNSXORQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-10(11,12-2)9-7-5-4-6-8-9/h4-8H,3,11H2,1-2H3.
What are the key properties of 1-methoxy-1-phenylpropan-1-amine?
1-methoxy-1-phenylpropan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-phenylpropan-1-amine is sourced from PubChem (CID 67818212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).