2-(benzylamino)-3,3-dimethylbutan-1-ol

C13H21NO — CID 54563298

IUPAC2-(benzylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)C(CO)NCc1ccccc1
InChIInChI=1S/C13H21NO/c1-13(2,3)12(10-15)14-9-11-7-5-4-6-8-11/h4-8,12,14-15H,9-10H2,1-3H3
InChIKeyZSBNIYGCECMATC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.18
Rot. Bonds4

About 2-(benzylamino)-3,3-dimethylbutan-1-ol

2-(benzylamino)-3,3-dimethylbutan-1-ol (PubChem CID 54563298) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(benzylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-3,3-dimethylbutan-1-ol
PubChem CID54563298
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(benzylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)C(CO)NCc1ccccc1
InChIInChI=1S/C13H21NO/c1-13(2,3)12(10-15)14-9-11-7-5-4-6-8-11/h4-8,12,14-15H,9-10H2,1-3H3
InChIKeyZSBNIYGCECMATC-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
N-benzyl-2,2-dimethylpentan-3-amine
CID 11206526
[2-(benzylamino)-3,3-dimethylbutyl] carbamate
CID 91176107
(2S,3R)-2-(benzylamino)-3,7-dimethyloct-6-ene-1,3-diol;hydrochloride
CID 24858586
4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
CID 103949947
[1-(benzylamino)-2,2-dimethylpropyl]phosphonic acid
CID 130623996
2-(benzylamino)-4-methoxy-4-methylpentan-1-ol
CID 106676174
2-(benzylamino)-3,3-dimethylbutanenitrile
CID 10679630
(2S,3R)-3-(benzylamino)butane-1,2-diol
CID 130641208
3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949872
(2S)-2-(benzylamino)-4-methylpentan-1-ol
CID 11298719
2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol
CID 104575780

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of 2-(benzylamino)-3,3-dimethylbutan-1-ol (CID 54563298) is 2-(benzylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-(benzylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 2-(benzylamino)-3,3-dimethylbutan-1-ol is CC(C)(C)C(CO)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is ZSBNIYGCECMATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)12(10-15)14-9-11-7-5-4-6-8-11/h4-8,12,14-15H,9-10H2,1-3H3.
What are the key properties of 2-(benzylamino)-3,3-dimethylbutan-1-ol?
2-(benzylamino)-3,3-dimethylbutan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 54563298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).