2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol

C23H25NO — CID 3745520

IUPAC2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol
SMILESCC(NCCC(c1ccccc1)c1ccccc1O)c1ccccc1
InChIInChI=1S/C23H25NO/c1-18(19-10-4-2-5-11-19)24-17-16-21(20-12-6-3-7-13-20)22-14-8-9-15-23(22)25/h2-15,18,21,24-25H,16-17H2,1H3
InChIKeyPBCGLNLOJZZAQT-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.26
Rot. Bonds7

About 2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol

2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol (PubChem CID 3745520) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol.

Molecular Properties

Compound Name2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol
PubChem CID3745520
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol
SMILESCC(NCCC(c1ccccc1)c1ccccc1O)c1ccccc1
InChIInChI=1S/C23H25NO/c1-18(19-10-4-2-5-11-19)24-17-16-21(20-12-6-3-7-13-20)22-14-8-9-15-23(22)25/h2-15,18,21,24-25H,16-17H2,1H3
InChIKeyPBCGLNLOJZZAQT-UHFFFAOYSA-N
XLogP5.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Tolterodine
CID 443879
N,N-bis[2-hydroxybenzyl]amine
CID 230856
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
LY 231617
CID 3968
2-[({2-[2-ethyl-2-methyl-4-(4-methylphenyl)tetrahydro-2H-pyran-4-yl]ethyl}amino)methyl]phenol
CID 3706362
3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol
CID 13904714
2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
CID 16037872
3-(1-Hydroxy-2-((4-phenylphenyl)methylamino)ethyl)phenol
CID 2989791
2,2'-(Ethane-1,2-diylbis(azanediylmethylene))diphenol
CID 199210
GNF-Pf-5310
CID 241056
2-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-methylphenol
CID 5512
2-[(Butylamino)methyl]phenol
CID 487839

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol?
The IUPAC name of 2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol (CID 3745520) is 2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol.
What is the SMILES notation for 2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol?
The canonical SMILES for 2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol is CC(NCCC(c1ccccc1)c1ccccc1O)c1ccccc1.
What is the InChIKey of 2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol?
The InChIKey is PBCGLNLOJZZAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-18(19-10-4-2-5-11-19)24-17-16-21(20-12-6-3-7-13-20)22-14-8-9-15-23(22)25/h2-15,18,21,24-25H,16-17H2,1H3.
What are the key properties of 2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol?
2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol has a molecular weight of 331.46 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-3-(1-phenylethylamino)propyl]phenol is sourced from PubChem (CID 3745520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).