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

C13H21NO — CID 134382987

IUPAC3-[benzyl(ethyl)amino]butan-1-ol
SMILESCCN(Cc1ccccc1)C(C)CCO
InChIInChI=1S/C13H21NO/c1-3-14(12(2)9-10-15)11-13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3
InChIKeyFFTIDVDEDJSVBR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds6

About 3-[benzyl(ethyl)amino]butan-1-ol

3-[benzyl(ethyl)amino]butan-1-ol (PubChem CID 134382987) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]butan-1-ol
PubChem CID134382987
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[benzyl(ethyl)amino]butan-1-ol
SMILESCCN(Cc1ccccc1)C(C)CCO
InChIInChI=1S/C13H21NO/c1-3-14(12(2)9-10-15)11-13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3
InChIKeyFFTIDVDEDJSVBR-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

(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 62418482
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
3-[benzyl(ethyl)amino]-2-methylbutanoic acid
CID 79406218
(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine
CID 155935553
2-[1-aminopropan-2-yl(benzyl)amino]ethanol
CID 62116860
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
4-[benzyl(ethyl)amino]butane-1,3-diol
CID 142177129
4-[2-[benzyl(ethyl)amino]propyl]aniline
CID 82255967

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]butan-1-ol?
The IUPAC name of 3-[benzyl(ethyl)amino]butan-1-ol (CID 134382987) is 3-[benzyl(ethyl)amino]butan-1-ol.
What is the SMILES notation for 3-[benzyl(ethyl)amino]butan-1-ol?
The canonical SMILES for 3-[benzyl(ethyl)amino]butan-1-ol is CCN(Cc1ccccc1)C(C)CCO.
What is the InChIKey of 3-[benzyl(ethyl)amino]butan-1-ol?
The InChIKey is FFTIDVDEDJSVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-14(12(2)9-10-15)11-13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3.
What are the key properties of 3-[benzyl(ethyl)amino]butan-1-ol?
3-[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 3-[benzyl(ethyl)amino]butan-1-ol is sourced from PubChem (CID 134382987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).