2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol

C13H21NO — CID 61308364

IUPAC2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol
SMILESCc1cccc(C(C)(CO)NC(C)C)c1
InChIInChI=1S/C13H21NO/c1-10(2)14-13(4,9-15)12-7-5-6-11(3)8-12/h5-8,10,14-15H,9H2,1-4H3
InChIKeyWCXGFIRRARWGGO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.20
Rot. Bonds4

About 2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol

2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 61308364) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID61308364
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol
SMILESCc1cccc(C(C)(CO)NC(C)C)c1
InChIInChI=1S/C13H21NO/c1-10(2)14-13(4,9-15)12-7-5-6-11(3)8-12/h5-8,10,14-15H,9H2,1-4H3
InChIKeyWCXGFIRRARWGGO-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
CID 61310488
2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol
CID 61309688
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 61048191
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
2-methyl-2-(3-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62595545
4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64825867
2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol
CID 61047988
2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine
CID 115198955
2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 55096001
ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate
CID 105057990
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol (CID 61308364) is 2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol is Cc1cccc(C(C)(CO)NC(C)C)c1.
What is the InChIKey of 2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is WCXGFIRRARWGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)14-13(4,9-15)12-7-5-6-11(3)8-12/h5-8,10,14-15H,9H2,1-4H3.
What are the key properties of 2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol?
2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 61308364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).