1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol

C12H19NO2 — CID 177439822

IUPAC1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol
SMILESCNC(C)C(O)c1ccc(CO)c(C)c1
InChIInChI=1S/C12H19NO2/c1-8-6-10(4-5-11(8)7-14)12(15)9(2)13-3/h4-6,9,12-15H,7H2,1-3H3
InChIKeyDVFJRYVDCUHEJM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.13
Rot. Bonds4

About 1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol

1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol (PubChem CID 177439822) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol
PubChem CID177439822
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol
SMILESCNC(C)C(O)c1ccc(CO)c(C)c1
InChIInChI=1S/C12H19NO2/c1-8-6-10(4-5-11(8)7-14)12(15)9(2)13-3/h4-6,9,12-15H,7H2,1-3H3
InChIKeyDVFJRYVDCUHEJM-UHFFFAOYSA-N
XLogP1.13
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]benzene-1,2-diol
CID 11106302
(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride
CID 175665348
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
CID 82315070
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312487
benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-3-methylphenyl]propyl]carbamate
CID 171855863
4-[1-hydroxy-2-(3-hydroxypropylamino)propyl]-2-methylphenol
CID 110183946
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide
CID 130524122
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol?
The IUPAC name of 1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol (CID 177439822) is 1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol is CNC(C)C(O)c1ccc(CO)c(C)c1.
What is the InChIKey of 1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol?
The InChIKey is DVFJRYVDCUHEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-6-10(4-5-11(8)7-14)12(15)9(2)13-3/h4-6,9,12-15H,7H2,1-3H3.
What are the key properties of 1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol?
1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol is sourced from PubChem (CID 177439822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).