4-(2-amino-4-methylpentyl)phenol

C12H19NO — CID 62754924

IUPAC4-(2-amino-4-methylpentyl)phenol
SMILESCC(C)CC(N)Cc1ccc(O)cc1
InChIInChI=1S/C12H19NO/c1-9(2)7-11(13)8-10-3-5-12(14)6-4-10/h3-6,9,11,14H,7-8,13H2,1-2H3
InChIKeyWEHRLRADOGCKRW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.31
Rot. Bonds4

About 4-(2-amino-4-methylpentyl)phenol

4-(2-amino-4-methylpentyl)phenol (PubChem CID 62754924) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(2-amino-4-methylpentyl)phenol.

Molecular Properties

Compound Name4-(2-amino-4-methylpentyl)phenol
PubChem CID62754924
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(2-amino-4-methylpentyl)phenol
SMILESCC(C)CC(N)Cc1ccc(O)cc1
InChIInChI=1S/C12H19NO/c1-9(2)7-11(13)8-10-3-5-12(14)6-4-10/h3-6,9,11,14H,7-8,13H2,1-2H3
InChIKeyWEHRLRADOGCKRW-UHFFFAOYSA-N
XLogP2.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5-(4-hydroxyphenyl)-2-methylpentanamide
CID 123987680
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
CID 178163146
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
CID 96616484
4-(2-amino-4-methylpentyl)-2-methylphenol
CID 178163187
4-(2,6,8-trimethylnonyl)phenol
CID 155208815
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
4-(2-aminooctyl)phenol
CID 69403996
4-[(1R)-1-amino-3-methylbutyl]phenol
CID 130812675

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methylpentyl)phenol?
The IUPAC name of 4-(2-amino-4-methylpentyl)phenol (CID 62754924) is 4-(2-amino-4-methylpentyl)phenol.
What is the SMILES notation for 4-(2-amino-4-methylpentyl)phenol?
The canonical SMILES for 4-(2-amino-4-methylpentyl)phenol is CC(C)CC(N)Cc1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-4-methylpentyl)phenol?
The InChIKey is WEHRLRADOGCKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)7-11(13)8-10-3-5-12(14)6-4-10/h3-6,9,11,14H,7-8,13H2,1-2H3.
What are the key properties of 4-(2-amino-4-methylpentyl)phenol?
4-(2-amino-4-methylpentyl)phenol has a molecular weight of 193.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methylpentyl)phenol is sourced from PubChem (CID 62754924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).