1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine

C18H23NO — CID 19003169

IUPAC1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine
SMILESCc1cc(C)cc(COCC(N)Cc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-14-8-15(2)10-17(9-14)12-20-13-18(19)11-16-6-4-3-5-7-16/h3-10,18H,11-13,19H2,1-2H3
InChIKeyDZQBGZPXSVUSTJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.39
Rot. Bonds6

About 1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine

1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine (PubChem CID 19003169) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine
PubChem CID19003169
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine
SMILESCc1cc(C)cc(COCC(N)Cc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-14-8-15(2)10-17(9-14)12-20-13-18(19)11-16-6-4-3-5-7-16/h3-10,18H,11-13,19H2,1-2H3
InChIKeyDZQBGZPXSVUSTJ-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine (CID 19003169) is 1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine is Cc1cc(C)cc(COCC(N)Cc2ccccc2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine?
The InChIKey is DZQBGZPXSVUSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-8-15(2)10-17(9-14)12-20-13-18(19)11-16-6-4-3-5-7-16/h3-10,18H,11-13,19H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine?
1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methoxy]-3-phenylpropan-2-amine is sourced from PubChem (CID 19003169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).