2-[4-(2-methylbutylamino)phenyl]ethanol

C13H21NO — CID 61238762

IUPAC2-[4-(2-methylbutylamino)phenyl]ethanol
SMILESCCC(C)CNc1ccc(CCO)cc1
InChIInChI=1S/C13H21NO/c1-3-11(2)10-14-13-6-4-12(5-7-13)8-9-15/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeyNXRGZZUUVAIZOE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.68
Rot. Bonds6

About 2-[4-(2-methylbutylamino)phenyl]ethanol

2-[4-(2-methylbutylamino)phenyl]ethanol (PubChem CID 61238762) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[4-(2-methylbutylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(2-methylbutylamino)phenyl]ethanol
PubChem CID61238762
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[4-(2-methylbutylamino)phenyl]ethanol
SMILESCCC(C)CNc1ccc(CCO)cc1
InChIInChI=1S/C13H21NO/c1-3-11(2)10-14-13-6-4-12(5-7-13)8-9-15/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeyNXRGZZUUVAIZOE-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloroethyl)-N-(2-methylbutyl)aniline
CID 65024050
2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol
CID 114270501
4-butyl-N-(2-methylpentyl)aniline
CID 43108404
4-bromo-N-(2-methylbutyl)aniline
CID 43201294
N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide
CID 43742088
4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine
CID 93225665
1-(4-propylanilino)propan-2-ol
CID 60884974
3-amino-4-(4-octylanilino)butan-1-ol
CID 45256386
N-(2-methylbutyl)pyridin-4-amine
CID 62693960
(2S)-3-(4-butylanilino)propane-1,2-diol
CID 61149579
2-[4-(pentan-2-ylamino)phenyl]ethanol
CID 61237126
2-[4-(pentadecylamino)phenyl]ethanol
CID 20525862

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutylamino)phenyl]ethanol?
The IUPAC name of 2-[4-(2-methylbutylamino)phenyl]ethanol (CID 61238762) is 2-[4-(2-methylbutylamino)phenyl]ethanol.
What is the SMILES notation for 2-[4-(2-methylbutylamino)phenyl]ethanol?
The canonical SMILES for 2-[4-(2-methylbutylamino)phenyl]ethanol is CCC(C)CNc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(2-methylbutylamino)phenyl]ethanol?
The InChIKey is NXRGZZUUVAIZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-11(2)10-14-13-6-4-12(5-7-13)8-9-15/h4-7,11,14-15H,3,8-10H2,1-2H3.
What are the key properties of 2-[4-(2-methylbutylamino)phenyl]ethanol?
2-[4-(2-methylbutylamino)phenyl]ethanol has a molecular weight of 207.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutylamino)phenyl]ethanol is sourced from PubChem (CID 61238762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).