2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol

C15H25NO — CID 110932562

IUPAC2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol
SMILESCN(CCCCc1ccccc1)CC(C)(C)O
InChIInChI=1S/C15H25NO/c1-15(2,17)13-16(3)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,17H,7-8,11-13H2,1-3H3
InChIKeyFLXVNONNSYGTOX-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.71
Rot. Bonds7

About 2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol

2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol (PubChem CID 110932562) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol
PubChem CID110932562
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol
SMILESCN(CCCCc1ccccc1)CC(C)(C)O
InChIInChI=1S/C15H25NO/c1-15(2,17)13-16(3)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,17H,7-8,11-13H2,1-3H3
InChIKeyFLXVNONNSYGTOX-UHFFFAOYSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol
CID 78962338
2-methyl-6-phenylhexan-2-ol
CID 12716611
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
4-[4-[benzyl(methyl)amino]butyl]phenol
CID 82188000
1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 111122688
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216
bis(N-methyl-N-(4-phenylbutyl)nonan-1-amine);oxalic acid
CID 173427638
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
[(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid
CID 68714573
N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride
CID 174059369

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol (CID 110932562) is 2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol is CN(CCCCc1ccccc1)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol?
The InChIKey is FLXVNONNSYGTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2,17)13-16(3)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,17H,7-8,11-13H2,1-3H3.
What are the key properties of 2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol?
2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol is sourced from PubChem (CID 110932562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).