1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol

C13H21NO — CID 4723365

IUPAC1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
SMILESCC(O)CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)13-6-4-12(5-7-13)9-14-8-11(3)15/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyUUQQGTKHJUJYNH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds5

About 1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol

1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol (PubChem CID 4723365) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
PubChem CID4723365
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
SMILESCC(O)CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)13-6-4-12(5-7-13)9-14-8-11(3)15/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyUUQQGTKHJUJYNH-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
(2S)-1-(benzylamino)propan-2-ol
CID 964914
(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol
CID 39244971
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine
CID 115202512

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol (CID 4723365) is 1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol is CC(O)CNCc1ccc(C(C)C)cc1.
What is the InChIKey of 1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol?
The InChIKey is UUQQGTKHJUJYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)13-6-4-12(5-7-13)9-14-8-11(3)15/h4-7,10-11,14-15H,8-9H2,1-3H3.
What are the key properties of 1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol?
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 4723365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).