2-(2-butylanilino)ethanol

C12H19NO — CID 139597188

IUPAC2-(2-butylanilino)ethanol
SMILESCCCCc1ccccc1NCCO
InChIInChI=1S/C12H19NO/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14/h4-5,7-8,13-14H,2-3,6,9-10H2,1H3
InChIKeySYHWTJYAXFSDBV-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.43
Rot. Bonds6

About 2-(2-butylanilino)ethanol

2-(2-butylanilino)ethanol (PubChem CID 139597188) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-butylanilino)ethanol.

Molecular Properties

Compound Name2-(2-butylanilino)ethanol
PubChem CID139597188
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-butylanilino)ethanol
SMILESCCCCc1ccccc1NCCO
InChIInChI=1S/C12H19NO/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14/h4-5,7-8,13-14H,2-3,6,9-10H2,1H3
InChIKeySYHWTJYAXFSDBV-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-butylanilino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-nonylanilino)ethanol
CID 160982770
tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate
CID 123143474
2-butyl-N-(2-cyclohexylethyl)aniline
CID 18361040
2-butyl-N-methylaniline;hydrochloride
CID 67695617
3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol
CID 59833377
3-[2-(2-methoxyethyl)anilino]propan-1-ol
CID 102847222
N-(2-butylphenyl)-2-chloroacetamide
CID 150293597
N-(2-fluoroethyl)-2-propylaniline
CID 80695673
N-(4,4-dimethylpentyl)-2-propylaniline
CID 114209394
N-(3-phenylpropyl)-2-propylaniline
CID 43687217
2-(2-dodecylanilino)acetic acid
CID 22628781
2-butyl-N-ethynylaniline
CID 143963108

Frequently Asked Questions

What is the IUPAC name of 2-(2-butylanilino)ethanol?
The IUPAC name of 2-(2-butylanilino)ethanol (CID 139597188) is 2-(2-butylanilino)ethanol.
What is the SMILES notation for 2-(2-butylanilino)ethanol?
The canonical SMILES for 2-(2-butylanilino)ethanol is CCCCc1ccccc1NCCO.
What is the InChIKey of 2-(2-butylanilino)ethanol?
The InChIKey is SYHWTJYAXFSDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14/h4-5,7-8,13-14H,2-3,6,9-10H2,1H3.
What are the key properties of 2-(2-butylanilino)ethanol?
2-(2-butylanilino)ethanol has a molecular weight of 193.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylanilino)ethanol is sourced from PubChem (CID 139597188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).