(2S)-1-(benzylamino)propan-2-ol

C10H15NO — CID 964914

IUPAC(2S)-1-(benzylamino)propan-2-ol
SMILESC[C@H](O)CNCc1ccccc1
InChIInChI=1S/C10H15NO/c1-9(12)7-11-8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-/m0/s1
InChIKeyIVPPRWDCTCLFSP-VIFPVBQESA-N
MW165.24 g/mol
LogP1.16
Rot. Bonds4

About (2S)-1-(benzylamino)propan-2-ol

(2S)-1-(benzylamino)propan-2-ol (PubChem CID 964914) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S)-1-(benzylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(benzylamino)propan-2-ol
PubChem CID964914
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S)-1-(benzylamino)propan-2-ol
SMILESC[C@H](O)CNCc1ccccc1
InChIInChI=1S/C10H15NO/c1-9(12)7-11-8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-/m0/s1
InChIKeyIVPPRWDCTCLFSP-VIFPVBQESA-N
XLogP1.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol
CID 51923142
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol
CID 39244971
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
N-benzyl-3-(2-hydroxypropylamino)propanamide
CID 54048354
N-benzyl-3-chloro-2-methylpropan-1-amine
CID 65031724
N-benzyl-2-methoxypropan-1-amine
CID 58887986

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzylamino)propan-2-ol?
The IUPAC name of (2S)-1-(benzylamino)propan-2-ol (CID 964914) is (2S)-1-(benzylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(benzylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(benzylamino)propan-2-ol is C[C@H](O)CNCc1ccccc1.
What is the InChIKey of (2S)-1-(benzylamino)propan-2-ol?
The InChIKey is IVPPRWDCTCLFSP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO/c1-9(12)7-11-8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-(benzylamino)propan-2-ol?
(2S)-1-(benzylamino)propan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzylamino)propan-2-ol is sourced from PubChem (CID 964914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).