3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol

C13H21NO — CID 110174091

IUPAC3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol
SMILESCC(C)(Cc1ccccc1)NCCCO
InChIInChI=1S/C13H21NO/c1-13(2,14-9-6-10-15)11-12-7-4-3-5-8-12/h3-5,7-8,14-15H,6,9-11H2,1-2H3
InChIKeyBGHXFKSEGORSGF-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.98
Rot. Bonds6

About 3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol

3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol (PubChem CID 110174091) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol
PubChem CID110174091
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol
SMILESCC(C)(Cc1ccccc1)NCCCO
InChIInChI=1S/C13H21NO/c1-13(2,14-9-6-10-15)11-12-7-4-3-5-8-12/h3-5,7-8,14-15H,6,9-11H2,1-2H3
InChIKeyBGHXFKSEGORSGF-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine
CID 19865267
N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine;hydrochloride
CID 174782012
1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine
CID 22640922
3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol
CID 65378027
3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]butanoic acid
CID 114264140
N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
CID 134123288
2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid
CID 71564969
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one
CID 70926284
2-ethyl-2-(3-phenylpropylamino)butan-1-ol
CID 55081812
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol (CID 110174091) is 3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol is CC(C)(Cc1ccccc1)NCCCO.
What is the InChIKey of 3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol?
The InChIKey is BGHXFKSEGORSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,14-9-6-10-15)11-12-7-4-3-5-8-12/h3-5,7-8,14-15H,6,9-11H2,1-2H3.
What are the key properties of 3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol?
3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 110174091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).