N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine

C25H29NO — CID 110177135

IUPACN-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine
SMILESCOC(CCNC(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO/c1-27-25(23-15-9-4-10-16-23)17-18-26-24(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22/h2-16,24-26H,17-20H2,1H3
InChIKeyVXXJJVPLVNLKOO-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.21
Rot. Bonds10

About N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine

N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine (PubChem CID 110177135) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine
PubChem CID110177135
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC NameN-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine
SMILESCOC(CCNC(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO/c1-27-25(23-15-9-4-10-16-23)17-18-26-24(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22/h2-16,24-26H,17-20H2,1H3
InChIKeyVXXJJVPLVNLKOO-UHFFFAOYSA-N
XLogP5.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-(1-methylsulfanylethyl)-3-phenylpropan-1-amine
CID 69321901
N-(3-methoxypropyl)-1-phenylbutan-2-amine
CID 79007280
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
(2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine
CID 15858785
N-(4-methoxybutyl)-1-phenylbutan-2-amine
CID 79008478
N-iodo-2-methoxy-2-phenylethanamine
CID 175279844
N-benzyl-2-methoxy-2-phenylethanamine
CID 55038164
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
CID 9801
1,2-bis(2-methoxy-2-phenylethyl)benzene
CID 90884874
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
(2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride
CID 110176836
methyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]butanoate
CID 55169386

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine?
The IUPAC name of N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine (CID 110177135) is N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine.
What is the SMILES notation for N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine?
The canonical SMILES for N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine is COC(CCNC(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine?
The InChIKey is VXXJJVPLVNLKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-27-25(23-15-9-4-10-16-23)17-18-26-24(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22/h2-16,24-26H,17-20H2,1H3.
What are the key properties of N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine?
N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine has a molecular weight of 359.51 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine is sourced from PubChem (CID 110177135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).