(2S)-2-(benzylamino)-4-methylpentan-1-ol

C13H21NO — CID 11298719

IUPAC(2S)-2-(benzylamino)-4-methylpentan-1-ol
SMILESCC(C)C[C@@H](CO)NCc1ccccc1
InChIInChI=1S/C13H21NO/c1-11(2)8-13(10-15)14-9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyNGUIWPIKSQLDQZ-ZDUSSCGKSA-N
MW207.32 g/mol
LogP2.18
Rot. Bonds6

About (2S)-2-(benzylamino)-4-methylpentan-1-ol

(2S)-2-(benzylamino)-4-methylpentan-1-ol (PubChem CID 11298719) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-2-(benzylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-(benzylamino)-4-methylpentan-1-ol
PubChem CID11298719
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S)-2-(benzylamino)-4-methylpentan-1-ol
SMILESCC(C)C[C@@H](CO)NCc1ccccc1
InChIInChI=1S/C13H21NO/c1-11(2)8-13(10-15)14-9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyNGUIWPIKSQLDQZ-ZDUSSCGKSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol
CID 61240678
2-(benzylamino)-4-methylheptan-1-ol
CID 166670635
(2S)-2-[(3-bromophenyl)methylamino]-4-methylpentan-1-ol
CID 71415314
4-methyl-2-(2-phenylpropylamino)pentan-1-ol
CID 61246256
4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol
CID 66400659
4-methyl-2-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 61247010
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 61240689
2-(benzylamino)-4-methoxy-4-methylpentan-1-ol
CID 106676174
2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 61245963
(2S,3R)-3-(benzylamino)butane-1,2-diol
CID 130641208
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylamino)-4-methylpentan-1-ol?
The IUPAC name of (2S)-2-(benzylamino)-4-methylpentan-1-ol (CID 11298719) is (2S)-2-(benzylamino)-4-methylpentan-1-ol.
What is the SMILES notation for (2S)-2-(benzylamino)-4-methylpentan-1-ol?
The canonical SMILES for (2S)-2-(benzylamino)-4-methylpentan-1-ol is CC(C)C[C@@H](CO)NCc1ccccc1.
What is the InChIKey of (2S)-2-(benzylamino)-4-methylpentan-1-ol?
The InChIKey is NGUIWPIKSQLDQZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)8-13(10-15)14-9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-(benzylamino)-4-methylpentan-1-ol?
(2S)-2-(benzylamino)-4-methylpentan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 11298719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).