1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol

C15H25NO — CID 104952529

IUPAC1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
SMILESCCC(O)CNCC(c1ccccc1)C(C)C
InChIInChI=1S/C15H25NO/c1-4-14(17)10-16-11-15(12(2)3)13-8-6-5-7-9-13/h5-9,12,14-17H,4,10-11H2,1-3H3
InChIKeyZQLPKQCKGOGQKX-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.79
Rot. Bonds7

About 1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol

1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol (PubChem CID 104952529) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
PubChem CID104952529
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
SMILESCCC(O)CNCC(c1ccccc1)C(C)C
InChIInChI=1S/C15H25NO/c1-4-14(17)10-16-11-15(12(2)3)13-8-6-5-7-9-13/h5-9,12,14-17H,4,10-11H2,1-3H3
InChIKeyZQLPKQCKGOGQKX-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine
CID 114011795
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine
CID 113303770
N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876225
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
CID 107876458
3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine
CID 107875745
N-methyl-2-[(3-methyl-2-phenylbutyl)amino]acetamide
CID 107875908
N-ethyl-3-methyl-2-phenylpentan-1-amine
CID 43163708
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
(2S)-3-phenylpentan-2-ol
CID 45048673
3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 107876430
4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol?
The IUPAC name of 1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol (CID 104952529) is 1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol.
What is the SMILES notation for 1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol?
The canonical SMILES for 1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol is CCC(O)CNCC(c1ccccc1)C(C)C.
What is the InChIKey of 1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol?
The InChIKey is ZQLPKQCKGOGQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-14(17)10-16-11-15(12(2)3)13-8-6-5-7-9-13/h5-9,12,14-17H,4,10-11H2,1-3H3.
What are the key properties of 1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol?
1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol is sourced from PubChem (CID 104952529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).