2-(N-butylanilino)ethanol

C12H19NO — CID 18271

IUPAC2-(N-butylanilino)ethanol
SMILESCCCCN(CCO)c1ccccc1
InChIInChI=1S/C12H19NO/c1-2-3-9-13(10-11-14)12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3
InChIKeyPMRRSCWLXKOMSK-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.29
Rot. Bonds6

About 2-(N-butylanilino)ethanol

2-(N-butylanilino)ethanol (PubChem CID 18271) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(N-butylanilino)ethanol.

Molecular Properties

Compound Name2-(N-butylanilino)ethanol
PubChem CID18271
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(N-butylanilino)ethanol
SMILESCCCCN(CCO)c1ccccc1
InChIInChI=1S/C12H19NO/c1-2-3-9-13(10-11-14)12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3
InChIKeyPMRRSCWLXKOMSK-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethylaniline
CID 949
Dropropizine
CID 3169
N,N-Diethylaniline
CID 7061
Levodropropizine
CID 65859
Butylacetanilide
CID 7051
3-Chloro-N,N-bis(2-hydroxyethyl)aniline
CID 66688
N,N-Bis(2-hydroxyethyl)-p-toluidine
CID 76497
4-Phenylmorpholine
CID 62339
1,2-Ethanediamine, N1-ethyl-N2,N2-dimethyl-N1-phenyl-
CID 33984
2-(N-ethyl-m-toluidino)ethanol
CID 7067
N-Phenyl diethanolamine
CID 8416
Trimethylphenylammonium hydroxide
CID 15913

Frequently Asked Questions

What is the IUPAC name of 2-(N-butylanilino)ethanol?
The IUPAC name of 2-(N-butylanilino)ethanol (CID 18271) is 2-(N-butylanilino)ethanol.
What is the SMILES notation for 2-(N-butylanilino)ethanol?
The canonical SMILES for 2-(N-butylanilino)ethanol is CCCCN(CCO)c1ccccc1.
What is the InChIKey of 2-(N-butylanilino)ethanol?
The InChIKey is PMRRSCWLXKOMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-9-13(10-11-14)12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3.
What are the key properties of 2-(N-butylanilino)ethanol?
2-(N-butylanilino)ethanol has a molecular weight of 193.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-butylanilino)ethanol is sourced from PubChem (CID 18271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).