(2S)-2-[benzyl(ethyl)amino]propan-1-ol

C12H19NO — CID 14327251

IUPAC(2S)-2-[benzyl(ethyl)amino]propan-1-ol
SMILESCCN(Cc1ccccc1)[C@@H](C)CO
InChIInChI=1S/C12H19NO/c1-3-13(11(2)10-14)9-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/t11-/m0/s1
InChIKeySKQUJQXYLWSZIG-NSHDSACASA-N
MW193.29 g/mol
LogP1.89
Rot. Bonds5

About (2S)-2-[benzyl(ethyl)amino]propan-1-ol

(2S)-2-[benzyl(ethyl)amino]propan-1-ol (PubChem CID 14327251) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-2-[benzyl(ethyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[benzyl(ethyl)amino]propan-1-ol
PubChem CID14327251
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-2-[benzyl(ethyl)amino]propan-1-ol
SMILESCCN(Cc1ccccc1)[C@@H](C)CO
InChIInChI=1S/C12H19NO/c1-3-13(11(2)10-14)9-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/t11-/m0/s1
InChIKeySKQUJQXYLWSZIG-NSHDSACASA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
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CID 71988819
2-[benzyl(ethyl)amino]-3-methylbutanamide
CID 82041322
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
3-[benzyl(ethyl)amino]-2-methylbutanoic acid
CID 79406218
2-[1-aminopropan-2-yl(benzyl)amino]ethanol
CID 62116860
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55089287
4-[2-[benzyl(ethyl)amino]propyl]aniline
CID 82255967
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 62418482

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl(ethyl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[benzyl(ethyl)amino]propan-1-ol (CID 14327251) is (2S)-2-[benzyl(ethyl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[benzyl(ethyl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[benzyl(ethyl)amino]propan-1-ol is CCN(Cc1ccccc1)[C@@H](C)CO.
What is the InChIKey of (2S)-2-[benzyl(ethyl)amino]propan-1-ol?
The InChIKey is SKQUJQXYLWSZIG-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO/c1-3-13(11(2)10-14)9-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-[benzyl(ethyl)amino]propan-1-ol?
(2S)-2-[benzyl(ethyl)amino]propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl(ethyl)amino]propan-1-ol is sourced from PubChem (CID 14327251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).