2-[benzyl(ethyl)amino]butan-1-ol

C13H21NO — CID 131985629

IUPAC2-[benzyl(ethyl)amino]butan-1-ol
SMILESCCC(CO)N(CC)Cc1ccccc1
InChIInChI=1S/C13H21NO/c1-3-13(11-15)14(4-2)10-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3
InChIKeyNDFBJXZDWRPTSN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds6

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

2-[benzyl(ethyl)amino]butan-1-ol (PubChem CID 131985629) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]butan-1-ol
PubChem CID131985629
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[benzyl(ethyl)amino]butan-1-ol
SMILESCCC(CO)N(CC)Cc1ccccc1
InChIInChI=1S/C13H21NO/c1-3-13(11-15)14(4-2)10-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3
InChIKeyNDFBJXZDWRPTSN-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(1-hydroxybutan-2-yl)amino]propanoic acid
CID 82327539
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 43175067
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
4-[[ethyl(pentan-3-yl)amino]methyl]benzoic acid
CID 122034478
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
N-benzyl-N-(2-bromoethyl)pentan-3-amine
CID 80680386
(2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol
CID 75455984

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]butan-1-ol?
The IUPAC name of 2-[benzyl(ethyl)amino]butan-1-ol (CID 131985629) is 2-[benzyl(ethyl)amino]butan-1-ol.
What is the SMILES notation for 2-[benzyl(ethyl)amino]butan-1-ol?
The canonical SMILES for 2-[benzyl(ethyl)amino]butan-1-ol is CCC(CO)N(CC)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]butan-1-ol?
The InChIKey is NDFBJXZDWRPTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-13(11-15)14(4-2)10-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[benzyl(ethyl)amino]butan-1-ol?
2-[benzyl(ethyl)amino]butan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]butan-1-ol is sourced from PubChem (CID 131985629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).