1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol

C19H25NO — CID 112811027

IUPAC1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol
SMILESCCC(NCC(O)Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C19H25NO/c1-3-19(17-11-9-15(2)10-12-17)20-14-18(21)13-16-7-5-4-6-8-16/h4-12,18-21H,3,13-14H2,1-2H3
InChIKeyDQYSHEVTSAFZPI-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.64
Rot. Bonds7

About 1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol

1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol (PubChem CID 112811027) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol
PubChem CID112811027
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol
SMILESCCC(NCC(O)Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C19H25NO/c1-3-19(17-11-9-15(2)10-12-17)20-14-18(21)13-16-7-5-4-6-8-16/h4-12,18-21H,3,13-14H2,1-2H3
InChIKeyDQYSHEVTSAFZPI-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride
CID 54605176
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960082
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol
CID 138960105
1-(pentan-2-ylamino)-3-phenylpropan-2-ol
CID 110884310
1-[1-(4-bromophenyl)propylamino]butan-2-ol
CID 115899581
(2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol
CID 66614400

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol (CID 112811027) is 1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol is CCC(NCC(O)Cc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol?
The InChIKey is DQYSHEVTSAFZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-19(17-11-9-15(2)10-12-17)20-14-18(21)13-16-7-5-4-6-8-16/h4-12,18-21H,3,13-14H2,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol?
1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol has a molecular weight of 283.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol is sourced from PubChem (CID 112811027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).