3-[benzyl(propyl)amino]butan-2-ol

C14H23NO — CID 131042967

IUPAC3-[benzyl(propyl)amino]butan-2-ol
SMILESCCCN(Cc1ccccc1)C(C)C(C)O
InChIInChI=1S/C14H23NO/c1-4-10-15(12(2)13(3)16)11-14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3
InChIKeyNAZSOHBPMOGHMX-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.67
Rot. Bonds6

About 3-[benzyl(propyl)amino]butan-2-ol

3-[benzyl(propyl)amino]butan-2-ol (PubChem CID 131042967) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[benzyl(propyl)amino]butan-2-ol.

Molecular Properties

Compound Name3-[benzyl(propyl)amino]butan-2-ol
PubChem CID131042967
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[benzyl(propyl)amino]butan-2-ol
SMILESCCCN(Cc1ccccc1)C(C)C(C)O
InChIInChI=1S/C14H23NO/c1-4-10-15(12(2)13(3)16)11-14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3
InChIKeyNAZSOHBPMOGHMX-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949
(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 118253863
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713906
N,N-dibenzylpropan-1-amine
CID 10840212
3-[methyl(2-phenylethyl)amino]butan-2-ol
CID 65485936
chloromethylbenzene;1-(dibenzylamino)ethanol
CID 66601956
(2S,3S)-2-N,2-N,3-N-tribenzylheptane-2,3-diamine
CID 14791984
2-[1-aminopropan-2-yl(benzyl)amino]ethanol
CID 62116860

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propyl)amino]butan-2-ol?
The IUPAC name of 3-[benzyl(propyl)amino]butan-2-ol (CID 131042967) is 3-[benzyl(propyl)amino]butan-2-ol.
What is the SMILES notation for 3-[benzyl(propyl)amino]butan-2-ol?
The canonical SMILES for 3-[benzyl(propyl)amino]butan-2-ol is CCCN(Cc1ccccc1)C(C)C(C)O.
What is the InChIKey of 3-[benzyl(propyl)amino]butan-2-ol?
The InChIKey is NAZSOHBPMOGHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-10-15(12(2)13(3)16)11-14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3.
What are the key properties of 3-[benzyl(propyl)amino]butan-2-ol?
3-[benzyl(propyl)amino]butan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propyl)amino]butan-2-ol is sourced from PubChem (CID 131042967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).