3-(2-methylpropylamino)-2-phenylpropan-1-ol

C13H21NO — CID 115876691

IUPAC3-(2-methylpropylamino)-2-phenylpropan-1-ol
SMILESCC(C)CNCC(CO)c1ccccc1
InChIInChI=1S/C13H21NO/c1-11(2)8-14-9-13(10-15)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3
InChIKeyHBHTXFOYRRFLMC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.01
Rot. Bonds6

About 3-(2-methylpropylamino)-2-phenylpropan-1-ol

3-(2-methylpropylamino)-2-phenylpropan-1-ol (PubChem CID 115876691) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2-methylpropylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2-methylpropylamino)-2-phenylpropan-1-ol
PubChem CID115876691
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(2-methylpropylamino)-2-phenylpropan-1-ol
SMILESCC(C)CNCC(CO)c1ccccc1
InChIInChI=1S/C13H21NO/c1-11(2)8-14-9-13(10-15)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3
InChIKeyHBHTXFOYRRFLMC-UHFFFAOYSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
3-(2-methylpropylamino)-1,1-diphenylpropan-2-ol
CID 107292960
6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine
CID 103020013
N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine
CID 81026656
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-1-amine
CID 81024756
2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine
CID 107138126
2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
CID 82871053

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(2-methylpropylamino)-2-phenylpropan-1-ol (CID 115876691) is 3-(2-methylpropylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(2-methylpropylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(2-methylpropylamino)-2-phenylpropan-1-ol is CC(C)CNCC(CO)c1ccccc1.
What is the InChIKey of 3-(2-methylpropylamino)-2-phenylpropan-1-ol?
The InChIKey is HBHTXFOYRRFLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)8-14-9-13(10-15)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3.
What are the key properties of 3-(2-methylpropylamino)-2-phenylpropan-1-ol?
3-(2-methylpropylamino)-2-phenylpropan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 115876691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).