3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol

C14H23NO3 — CID 62625075

IUPAC3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN(CCO)CCO
InChIInChI=1S/C14H23NO3/c1-12-4-2-3-5-13(12)14(18)6-7-15(8-10-16)9-11-17/h2-5,14,16-18H,6-11H2,1H3
InChIKeyNKHCGSZYECTKDY-UHFFFAOYSA-N
MW253.34 g/mol
LogP0.71
Rot. Bonds8

About 3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol

3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol (PubChem CID 62625075) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
PubChem CID62625075
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN(CCO)CCO
InChIInChI=1S/C14H23NO3/c1-12-4-2-3-5-13(12)14(18)6-7-15(8-10-16)9-11-17/h2-5,14,16-18H,6-11H2,1H3
InChIKeyNKHCGSZYECTKDY-UHFFFAOYSA-N
XLogP0.71
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 107487245
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624580
3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624194
3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63692501
3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol
CID 62624022
4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 62608573
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 107487213
3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63010100
3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62622938
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol
CID 62625066
3-[methyl(oxolan-3-yl)amino]-1-(2-methylphenyl)propan-1-ol
CID 82754684

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol (CID 62625075) is 3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(O)CCN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The InChIKey is NKHCGSZYECTKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-12-4-2-3-5-13(12)14(18)6-7-15(8-10-16)9-11-17/h2-5,14,16-18H,6-11H2,1H3.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol?
3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 62625075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).