2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol

C12H18ClNO2 — CID 83899736

IUPAC2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol
SMILESCc1cc(Cl)cc(C(N)CO)c1OC(C)C
InChIInChI=1S/C12H18ClNO2/c1-7(2)16-12-8(3)4-9(13)5-10(12)11(14)6-15/h4-5,7,11,15H,6,14H2,1-3H3
InChIKeyGDVKANVJQYKSRZ-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol

2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol (PubChem CID 83899736) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol
PubChem CID83899736
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol
SMILESCc1cc(Cl)cc(C(N)CO)c1OC(C)C
InChIInChI=1S/C12H18ClNO2/c1-7(2)16-12-8(3)4-9(13)5-10(12)11(14)6-15/h4-5,7,11,15H,6,14H2,1-3H3
InChIKeyGDVKANVJQYKSRZ-UHFFFAOYSA-N
XLogP2.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
CID 82267544
3-amino-3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propanoic acid
CID 117464423
(5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine
CID 116947459
2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol
CID 84680049
amino-(5-chloro-2-methoxy-3-methylphenyl)methanethiol
CID 116939486
1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine
CID 82266811
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol
CID 83892709
2-[(1R)-1-amino-3-methylbutyl]-4-chloro-6-methylphenol;hydrochloride
CID 171214989
2-[(1S)-1-amino-4-hydroxybutyl]-4-chloro-6-methylphenol
CID 171234646
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol (CID 83899736) is 2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol is Cc1cc(Cl)cc(C(N)CO)c1OC(C)C.
What is the InChIKey of 2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol?
The InChIKey is GDVKANVJQYKSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-7(2)16-12-8(3)4-9(13)5-10(12)11(14)6-15/h4-5,7,11,15H,6,14H2,1-3H3.
What are the key properties of 2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol?
2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol has a molecular weight of 243.73 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 83899736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).