4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride

C24H28ClNO2 — CID 6366655

IUPAC4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride
SMILESCC(Cc1ccccc1)NCCC(c1ccccc1)c1ccc(O)cc1O.Cl
InChIInChI=1S/C24H27NO2.ClH/c1-18(16-19-8-4-2-5-9-19)25-15-14-22(20-10-6-3-7-11-20)23-13-12-21(26)17-24(23)27;/h2-13,17-18,22,25-27H,14-16H2,1H3;1H
InChIKeyQLGFHIADXZUDML-UHFFFAOYSA-N
MW397.95 g/mol
LogP5.26
Rot. Bonds8

About 4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride

4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride (PubChem CID 6366655) has the molecular formula C24H28ClNO2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride.

Molecular Properties

Compound Name4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride
PubChem CID6366655
Molecular FormulaC24H28ClNO2
Molecular Weight397.95 g/mol
Exact Mass397.18
IUPAC Name4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride
SMILESCC(Cc1ccccc1)NCCC(c1ccccc1)c1ccc(O)cc1O.Cl
InChIInChI=1S/C24H27NO2.ClH/c1-18(16-19-8-4-2-5-9-19)25-15-14-22(20-10-6-3-7-11-20)23-13-12-21(26)17-24(23)27;/h2-13,17-18,22,25-27H,14-16H2,1H3;1H
InChIKeyQLGFHIADXZUDML-UHFFFAOYSA-N
XLogP5.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.95
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
CID 9801
2-[(1R)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol
CID 793127
2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol
CID 793123
N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
CID 1378355
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
4-[(1R)-1-phenylethyl]benzene-1,3-diol
CID 139072584
4-(1-phenylethyl)benzene-1,3-diol
CID 11171903
4-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]ethyl]benzene-1,3-diol
CID 63260759
4-[(1S)-1-amino-2-phenylethyl]benzene-1,3-diol
CID 165348962
4-[3-[2-(2,3-dimethoxyphenyl)ethylamino]-1-phenylpropyl]benzene-1,3-diol;hydrochloride
CID 6366653
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236

Frequently Asked Questions

What is the IUPAC name of 4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride?
The IUPAC name of 4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride (CID 6366655) is 4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride.
What is the SMILES notation for 4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride?
The canonical SMILES for 4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride is CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccc(O)cc1O.Cl.
What is the InChIKey of 4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride?
The InChIKey is QLGFHIADXZUDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2.ClH/c1-18(16-19-8-4-2-5-9-19)25-15-14-22(20-10-6-3-7-11-20)23-13-12-21(26)17-24(23)27;/h2-13,17-18,22,25-27H,14-16H2,1H3;1H.
What are the key properties of 4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride?
4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 5.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride is sourced from PubChem (CID 6366655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).