3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine

C31H31NO — CID 13065282

IUPAC3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine
SMILESCC(Cc1ccc(OCc2ccccc2)cc1)NCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H31NO/c1-25(23-26-17-19-30(20-18-26)33-24-27-11-5-2-6-12-27)32-22-21-31(28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-21,25,32H,22-24H2,1H3
InChIKeyIKXAOPFWTOLJSZ-UHFFFAOYSA-N
MW433.60 g/mol
LogP6.92
Rot. Bonds10

About 3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine

3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine (PubChem CID 13065282) has the molecular formula C31H31NO and a molecular weight of 433.60 g/mol. Its IUPAC name is 3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine
PubChem CID13065282
Molecular FormulaC31H31NO
Molecular Weight433.60 g/mol
Exact Mass433.24
IUPAC Name3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine
SMILESCC(Cc1ccc(OCc2ccccc2)cc1)NCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H31NO/c1-25(23-26-17-19-30(20-18-26)33-24-27-11-5-2-6-12-27)32-22-21-31(28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-21,25,32H,22-24H2,1H3
InChIKeyIKXAOPFWTOLJSZ-UHFFFAOYSA-N
XLogP6.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
(2-methylpropan-2-yl)oxy-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]methanol
CID 163771613
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
methyl 2-[4-[2-[[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]propyl]phenoxy]acetate
CID 19690919
1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine
CID 110185374
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide
CID 70988226
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
CID 124647336

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine?
The IUPAC name of 3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine (CID 13065282) is 3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine.
What is the SMILES notation for 3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine?
The canonical SMILES for 3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine is CC(Cc1ccc(OCc2ccccc2)cc1)NCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine?
The InChIKey is IKXAOPFWTOLJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO/c1-25(23-26-17-19-30(20-18-26)33-24-27-11-5-2-6-12-27)32-22-21-31(28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-21,25,32H,22-24H2,1H3.
What are the key properties of 3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine?
3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine has a molecular weight of 433.60 g/mol, XLogP of 6.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-[1-(4-phenylmethoxyphenyl)propan-2-yl]prop-2-en-1-amine is sourced from PubChem (CID 13065282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).