(1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride

C14H24ClNO — CID 171237757

IUPAC(1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride
SMILESCc1ccc([C@H](O)C[C@@H](N)C(C)(C)C)cc1.Cl
InChIInChI=1S/C14H23NO.ClH/c1-10-5-7-11(8-6-10)12(16)9-13(15)14(2,3)4;/h5-8,12-13,16H,9,15H2,1-4H3;1H/t12-,13-;/m1./s1
InChIKeyOJVMQESOYSQNDX-OJERSXHUSA-N
MW257.81 g/mol
LogP3.21
Rot. Bonds3

About (1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride

(1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride (PubChem CID 171237757) has the molecular formula C14H24ClNO and a molecular weight of 257.81 g/mol. Its IUPAC name is (1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride
PubChem CID171237757
Molecular FormulaC14H24ClNO
Molecular Weight257.81 g/mol
Exact Mass257.15
IUPAC Name(1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride
SMILESCc1ccc([C@H](O)C[C@@H](N)C(C)(C)C)cc1.Cl
InChIInChI=1S/C14H23NO.ClH/c1-10-5-7-11(8-6-10)12(16)9-13(15)14(2,3)4;/h5-8,12-13,16H,9,15H2,1-4H3;1H/t12-,13-;/m1./s1
InChIKeyOJVMQESOYSQNDX-OJERSXHUSA-N
XLogP3.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S)-3-amino-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-1-ol;hydrochloride
CID 171237125
(1S,3S)-3-amino-1-(4-fluorophenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237039
(1S,3S)-3-amino-1-(4-bromophenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237115
(1R,3R)-3-amino-1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 171237726
(1S,3R)-3-amino-1-(3,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237440
(1S,3R)-3-amino-1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237411
3-[(1S,3S)-3-amino-1-hydroxy-4,4-dimethylpentyl]phenol;hydrochloride
CID 171237097
(1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol
CID 139087432
(1S,3R)-1-(4-methylphenyl)butane-1,3-diol
CID 101168301
5-[(1R,3R)-3-amino-1-hydroxy-4,4-dimethylpentyl]-2-methoxyphenol;hydrochloride
CID 171237715
5-[(1S,3S)-3-amino-1-hydroxy-4,4-dimethylpentyl]-2-methoxyphenol;hydrochloride
CID 171237103
(1S,3S)-3-amino-1-(3-bromo-4-methoxyphenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237077

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride?
The IUPAC name of (1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride (CID 171237757) is (1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride.
What is the SMILES notation for (1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride?
The canonical SMILES for (1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride is Cc1ccc([C@H](O)C[C@@H](N)C(C)(C)C)cc1.Cl.
What is the InChIKey of (1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride?
The InChIKey is OJVMQESOYSQNDX-OJERSXHUSA-N. The full InChI is InChI=1S/C14H23NO.ClH/c1-10-5-7-11(8-6-10)12(16)9-13(15)14(2,3)4;/h5-8,12-13,16H,9,15H2,1-4H3;1H/t12-,13-;/m1./s1.
What are the key properties of (1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride?
(1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride has a molecular weight of 257.81 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride is sourced from PubChem (CID 171237757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).