3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol

C18H23NO2 — CID 110009129

IUPAC3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol
SMILESCN(Cc1ccc(CO)cc1)C(CCO)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-19(13-15-7-9-16(14-21)10-8-15)18(11-12-20)17-5-3-2-4-6-17/h2-10,18,20-21H,11-14H2,1H3
InChIKeyWIMPPWNJOJQQAB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.73
Rot. Bonds7

About 3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol

3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol (PubChem CID 110009129) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol
PubChem CID110009129
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol
SMILESCN(Cc1ccc(CO)cc1)C(CCO)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-19(13-15-7-9-16(14-21)10-8-15)18(11-12-20)17-5-3-2-4-6-17/h2-10,18,20-21H,11-14H2,1H3
InChIKeyWIMPPWNJOJQQAB-UHFFFAOYSA-N
XLogP2.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111496963
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519445
(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97256570
(3S)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519444
3-[methyl-[(2-nitrophenyl)methyl]amino]-3-phenylpropan-1-ol
CID 111489282
3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489124
3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111489141
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489104
3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol
CID 111489276
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol (CID 110009129) is 3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol is CN(Cc1ccc(CO)cc1)C(CCO)c1ccccc1.
What is the InChIKey of 3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol?
The InChIKey is WIMPPWNJOJQQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19(13-15-7-9-16(14-21)10-8-15)18(11-12-20)17-5-3-2-4-6-17/h2-10,18,20-21H,11-14H2,1H3.
What are the key properties of 3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol?
3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 110009129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).