2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol

C10H13Cl2NO — CID 84796743

IUPAC2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol
SMILESCc1cc(Cl)c(Cl)cc1C(O)C(C)N
InChIInChI=1S/C10H13Cl2NO/c1-5-3-8(11)9(12)4-7(5)10(14)6(2)13/h3-4,6,10,14H,13H2,1-2H3
InChIKeyFVOLHJPKBVMFRU-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.68
Rot. Bonds2

About 2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol

2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol (PubChem CID 84796743) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol
PubChem CID84796743
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol
SMILESCc1cc(Cl)c(Cl)cc1C(O)C(C)N
InChIInChI=1S/C10H13Cl2NO/c1-5-3-8(11)9(12)4-7(5)10(14)6(2)13/h3-4,6,10,14H,13H2,1-2H3
InChIKeyFVOLHJPKBVMFRU-UHFFFAOYSA-N
XLogP2.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol
CID 84681407
(1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 131146815
(3S)-3-amino-3-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 131011081
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
CID 82300217
2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol
CID 83931550
(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 130864158
2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 84659101
3-(2-amino-1-hydroxypropyl)-4-chlorophenol
CID 84670328
(1R,2R)-2-amino-1-(6-amino-4-methyl-3-pyridinyl)propan-1-ol
CID 130884546
(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
CID 130826820
2-[(1S)-1-aminoethyl]-4,5-dichlorophenol
CID 96708426
1-(5-bromo-4-chloro-2-methylphenyl)ethanamine
CID 84803604

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol (CID 84796743) is 2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol is Cc1cc(Cl)c(Cl)cc1C(O)C(C)N.
What is the InChIKey of 2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol?
The InChIKey is FVOLHJPKBVMFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-5-3-8(11)9(12)4-7(5)10(14)6(2)13/h3-4,6,10,14H,13H2,1-2H3.
What are the key properties of 2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol?
2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol has a molecular weight of 234.13 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 84796743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).