4-(1-aminoethyl)-2-chloro-6-methylphenol

C9H12ClNO — CID 84660355

IUPAC4-(1-aminoethyl)-2-chloro-6-methylphenol
SMILESCc1cc(C(C)N)cc(Cl)c1O
InChIInChI=1S/C9H12ClNO/c1-5-3-7(6(2)11)4-8(10)9(5)12/h3-4,6,12H,11H2,1-2H3
InChIKeyKXPHKVXEDWJUDF-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.37
Rot. Bonds1

About 4-(1-aminoethyl)-2-chloro-6-methylphenol

4-(1-aminoethyl)-2-chloro-6-methylphenol (PubChem CID 84660355) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-chloro-6-methylphenol.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-chloro-6-methylphenol
PubChem CID84660355
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name4-(1-aminoethyl)-2-chloro-6-methylphenol
SMILESCc1cc(C(C)N)cc(Cl)c1O
InChIInChI=1S/C9H12ClNO/c1-5-3-7(6(2)11)4-8(10)9(5)12/h3-4,6,12H,11H2,1-2H3
InChIKeyKXPHKVXEDWJUDF-UHFFFAOYSA-N
XLogP2.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid
CID 84783600
4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol
CID 84669987
methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117333182
2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one
CID 84679949
2-acetamido-3-(3-chloro-4-hydroxy-5-methylphenyl)butanoic acid
CID 69064504
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
CID 131154403
5-(1-aminoethyl)benzene-1,2,3-triol
CID 55295720
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
2-chloro-6-methyl-4-sulfanylphenol
CID 91874324
2-amino-6-chloro-4-propan-2-ylphenol
CID 21209246
(1R)-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 130682579
3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117389808

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-chloro-6-methylphenol?
The IUPAC name of 4-(1-aminoethyl)-2-chloro-6-methylphenol (CID 84660355) is 4-(1-aminoethyl)-2-chloro-6-methylphenol.
What is the SMILES notation for 4-(1-aminoethyl)-2-chloro-6-methylphenol?
The canonical SMILES for 4-(1-aminoethyl)-2-chloro-6-methylphenol is Cc1cc(C(C)N)cc(Cl)c1O.
What is the InChIKey of 4-(1-aminoethyl)-2-chloro-6-methylphenol?
The InChIKey is KXPHKVXEDWJUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-5-3-7(6(2)11)4-8(10)9(5)12/h3-4,6,12H,11H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-2-chloro-6-methylphenol?
4-(1-aminoethyl)-2-chloro-6-methylphenol has a molecular weight of 185.65 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-chloro-6-methylphenol is sourced from PubChem (CID 84660355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).