2-(2-methylphenyl)-2-(propylamino)propan-1-ol

C13H21NO — CID 61055182

IUPAC2-(2-methylphenyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)c1ccccc1C
InChIInChI=1S/C13H21NO/c1-4-9-14-13(3,10-15)12-8-6-5-7-11(12)2/h5-8,14-15H,4,9-10H2,1-3H3
InChIKeyQTUPDAHBGKYUCY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.20
Rot. Bonds5

About 2-(2-methylphenyl)-2-(propylamino)propan-1-ol

2-(2-methylphenyl)-2-(propylamino)propan-1-ol (PubChem CID 61055182) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-(propylamino)propan-1-ol
PubChem CID61055182
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-methylphenyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)c1ccccc1C
InChIInChI=1S/C13H21NO/c1-4-9-14-13(3,10-15)12-8-6-5-7-11(12)2/h5-8,14-15H,4,9-10H2,1-3H3
InChIKeyQTUPDAHBGKYUCY-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyphenyl)-2-(propylamino)propan-1-ol
CID 61057006
2-(2-ethoxyphenyl)-2-(propylamino)propan-1-ol
CID 61056385
2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol
CID 61053956
3-naphthalen-1-yl-3-(propylamino)butan-1-ol
CID 65234850
2-(2-chlorophenyl)-2-(ethylamino)propan-1-ol
CID 61050515
2-(4-fluoroanilino)-2-(2-methylphenyl)propan-1-ol
CID 61047955
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790376
4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol
CID 64790737
2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
CID 61048061
2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol
CID 61056180
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol
CID 64790380

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-(propylamino)propan-1-ol?
The IUPAC name of 2-(2-methylphenyl)-2-(propylamino)propan-1-ol (CID 61055182) is 2-(2-methylphenyl)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-(2-methylphenyl)-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-(2-methylphenyl)-2-(propylamino)propan-1-ol is CCCNC(C)(CO)c1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)-2-(propylamino)propan-1-ol?
The InChIKey is QTUPDAHBGKYUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-9-14-13(3,10-15)12-8-6-5-7-11(12)2/h5-8,14-15H,4,9-10H2,1-3H3.
What are the key properties of 2-(2-methylphenyl)-2-(propylamino)propan-1-ol?
2-(2-methylphenyl)-2-(propylamino)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 61055182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).