4-[(2R)-2-amino-4,4-dimethylpentyl]phenol

C13H21NO — CID 96616484

IUPAC4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
SMILESCC(C)(C)C[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H21NO/c1-13(2,3)9-11(14)8-10-4-6-12(15)7-5-10/h4-7,11,15H,8-9,14H2,1-3H3/t11-/m0/s1
InChIKeyYXUHIRXIVADZFB-NSHDSACASA-N
MW207.32 g/mol
LogP2.70
Rot. Bonds3

About 4-[(2R)-2-amino-4,4-dimethylpentyl]phenol

4-[(2R)-2-amino-4,4-dimethylpentyl]phenol (PubChem CID 96616484) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(2R)-2-amino-4,4-dimethylpentyl]phenol.

Molecular Properties

Compound Name4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
PubChem CID96616484
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
SMILESCC(C)(C)C[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H21NO/c1-13(2,3)9-11(14)8-10-4-6-12(15)7-5-10/h4-7,11,15H,8-9,14H2,1-3H3/t11-/m0/s1
InChIKeyYXUHIRXIVADZFB-NSHDSACASA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 61079242
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
4-(2-amino-4-methylpentyl)phenol
CID 62754924
2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one
CID 70878581
tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate
CID 154958411
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
2-aminopropan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 139681701
4-(2-aminooctyl)phenol
CID 69403996
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-2-methylpropanoic acid
CID 76950010
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 103040033

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-4,4-dimethylpentyl]phenol?
The IUPAC name of 4-[(2R)-2-amino-4,4-dimethylpentyl]phenol (CID 96616484) is 4-[(2R)-2-amino-4,4-dimethylpentyl]phenol.
What is the SMILES notation for 4-[(2R)-2-amino-4,4-dimethylpentyl]phenol?
The canonical SMILES for 4-[(2R)-2-amino-4,4-dimethylpentyl]phenol is CC(C)(C)C[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2R)-2-amino-4,4-dimethylpentyl]phenol?
The InChIKey is YXUHIRXIVADZFB-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)9-11(14)8-10-4-6-12(15)7-5-10/h4-7,11,15H,8-9,14H2,1-3H3/t11-/m0/s1.
What are the key properties of 4-[(2R)-2-amino-4,4-dimethylpentyl]phenol?
4-[(2R)-2-amino-4,4-dimethylpentyl]phenol has a molecular weight of 207.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-4,4-dimethylpentyl]phenol is sourced from PubChem (CID 96616484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).