3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine

C22H23NO — CID 83973248

IUPAC3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
SMILESNCC(Cc1ccccc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H23NO/c23-16-21(14-18-8-3-1-4-9-18)20-12-7-13-22(15-20)24-17-19-10-5-2-6-11-19/h1-13,15,21H,14,16-17,23H2
InChIKeyDGROXVJXPAHOKW-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.55
Rot. Bonds7

About 3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine

3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine (PubChem CID 83973248) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
PubChem CID83973248
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
SMILESNCC(Cc1ccccc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H23NO/c23-16-21(14-18-8-3-1-4-9-18)20-12-7-13-22(15-20)24-17-19-10-5-2-6-11-19/h1-13,15,21H,14,16-17,23H2
InChIKeyDGROXVJXPAHOKW-UHFFFAOYSA-N
XLogP4.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-2-yl)-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973239
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973436
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(1S)-1-(3-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171230857
(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine
CID 171211255
3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973269
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171211288

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine?
The IUPAC name of 3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine (CID 83973248) is 3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine is NCC(Cc1ccccc1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine?
The InChIKey is DGROXVJXPAHOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c23-16-21(14-18-8-3-1-4-9-18)20-12-7-13-22(15-20)24-17-19-10-5-2-6-11-19/h1-13,15,21H,14,16-17,23H2.
What are the key properties of 3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine?
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine has a molecular weight of 317.43 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).