1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine

C25H29NO2 — CID 91059211

IUPAC1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine
SMILESCOc1ccc(C(c2ccc(OC)c(C)c2)C(N)Cc2ccccc2)cc1C
InChIInChI=1S/C25H29NO2/c1-17-14-20(10-12-23(17)27-3)25(21-11-13-24(28-4)18(2)15-21)22(26)16-19-8-6-5-7-9-19/h5-15,22,25H,16,26H2,1-4H3
InChIKeyPMQAYAKJWHLDBQ-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.02
Rot. Bonds7

About 1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine

1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine (PubChem CID 91059211) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine
PubChem CID91059211
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine
SMILESCOc1ccc(C(c2ccc(OC)c(C)c2)C(N)Cc2ccccc2)cc1C
InChIInChI=1S/C25H29NO2/c1-17-14-20(10-12-23(17)27-3)25(21-11-13-24(28-4)18(2)15-21)22(26)16-19-8-6-5-7-9-19/h5-15,22,25H,16,26H2,1-4H3
InChIKeyPMQAYAKJWHLDBQ-UHFFFAOYSA-N
XLogP5.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3-methylphenyl)-2-pyridin-3-ylethanamine
CID 104736678
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 61080511
(4-methoxy-3-methylphenyl)-naphthalen-1-ylmethanamine
CID 43379648
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
CID 43379716
(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
CID 55265729
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081846

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine?
The IUPAC name of 1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine (CID 91059211) is 1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine.
What is the SMILES notation for 1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine?
The canonical SMILES for 1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine is COc1ccc(C(c2ccc(OC)c(C)c2)C(N)Cc2ccccc2)cc1C.
What is the InChIKey of 1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine?
The InChIKey is PMQAYAKJWHLDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-17-14-20(10-12-23(17)27-3)25(21-11-13-24(28-4)18(2)15-21)22(26)16-19-8-6-5-7-9-19/h5-15,22,25H,16,26H2,1-4H3.
What are the key properties of 1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine?
1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine has a molecular weight of 375.51 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine is sourced from PubChem (CID 91059211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).