1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol

C14H23NO2 — CID 4662474

IUPAC1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
SMILESCc1cccc(CN(CC(C)O)CC(C)O)c1
InChIInChI=1S/C14H23NO2/c1-11-5-4-6-14(7-11)10-15(8-12(2)16)9-13(3)17/h4-7,12-13,16-17H,8-10H2,1-3H3
InChIKeyRICIYQLEWHRWOG-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.56
Rot. Bonds6

About 1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol

1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol (PubChem CID 4662474) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
PubChem CID4662474
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
SMILESCc1cccc(CN(CC(C)O)CC(C)O)c1
InChIInChI=1S/C14H23NO2/c1-11-5-4-6-14(7-11)10-15(8-12(2)16)9-13(3)17/h4-7,12-13,16-17H,8-10H2,1-3H3
InChIKeyRICIYQLEWHRWOG-UHFFFAOYSA-N
XLogP1.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 22600659
(2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol
CID 93162962
1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]hex-5-en-2-ol
CID 46007409
(2S)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]butan-2-ol
CID 93163155
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
(2S)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 93163145
1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol
CID 46007418
2-(bromomethyl)-N,3-dimethyl-N-[(3-methylphenyl)methyl]butan-1-amine
CID 65011843
1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 71237034
(2R)-1-[(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 783240
formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 143158010
4-hydroxy-5-[methyl-[(3-methylphenyl)methyl]amino]pentanoic acid
CID 115122741

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol (CID 4662474) is 1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol is Cc1cccc(CN(CC(C)O)CC(C)O)c1.
What is the InChIKey of 1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol?
The InChIKey is RICIYQLEWHRWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-5-4-6-14(7-11)10-15(8-12(2)16)9-13(3)17/h4-7,12-13,16-17H,8-10H2,1-3H3.
What are the key properties of 1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol?
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 4662474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).