4-[(1S)-1-amino-2-methylpropyl]phenol

C10H15NO — CID 55278792

IUPAC4-[(1S)-1-amino-2-methylpropyl]phenol
SMILESCC(C)[C@H](N)c1ccc(O)cc1
InChIInChI=1S/C10H15NO/c1-7(2)10(11)8-3-5-9(12)6-4-8/h3-7,10,12H,11H2,1-2H3/t10-/m0/s1
InChIKeyYZAPLTBLRYGSEY-JTQLQIEISA-N
MW165.24 g/mol
LogP2.05
Rot. Bonds2

About 4-[(1S)-1-amino-2-methylpropyl]phenol

4-[(1S)-1-amino-2-methylpropyl]phenol (PubChem CID 55278792) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-methylpropyl]phenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-methylpropyl]phenol
PubChem CID55278792
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-[(1S)-1-amino-2-methylpropyl]phenol
SMILESCC(C)[C@H](N)c1ccc(O)cc1
InChIInChI=1S/C10H15NO/c1-7(2)10(11)8-3-5-9(12)6-4-8/h3-7,10,12H,11H2,1-2H3/t10-/m0/s1
InChIKeyYZAPLTBLRYGSEY-JTQLQIEISA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
CID 130975039
4-(1,2-diaminopropyl)phenol
CID 24841393
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
4-[(1R)-1-amino-2,2-difluoroethyl]phenol
CID 130707257
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
4-(1-amino-2-methylpropyl)aniline
CID 55283645
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
4-(1-amino-2-methylpropyl)benzene-1,2-diol
CID 55283190
4-(1-amino-2-phenylpropyl)phenol;hydrochloride
CID 67712087
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-methylpropyl]phenol?
The IUPAC name of 4-[(1S)-1-amino-2-methylpropyl]phenol (CID 55278792) is 4-[(1S)-1-amino-2-methylpropyl]phenol.
What is the SMILES notation for 4-[(1S)-1-amino-2-methylpropyl]phenol?
The canonical SMILES for 4-[(1S)-1-amino-2-methylpropyl]phenol is CC(C)[C@H](N)c1ccc(O)cc1.
What is the InChIKey of 4-[(1S)-1-amino-2-methylpropyl]phenol?
The InChIKey is YZAPLTBLRYGSEY-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)10(11)8-3-5-9(12)6-4-8/h3-7,10,12H,11H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-2-methylpropyl]phenol?
4-[(1S)-1-amino-2-methylpropyl]phenol has a molecular weight of 165.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2-methylpropyl]phenol is sourced from PubChem (CID 55278792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).