1-amino-3-(3,5-dichloroanilino)propan-2-ol

C9H12Cl2N2O — CID 82044189

IUPAC1-amino-3-(3,5-dichloroanilino)propan-2-ol
SMILESNCC(O)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H12Cl2N2O/c10-6-1-7(11)3-8(2-6)13-5-9(14)4-12/h1-3,9,13-14H,4-5,12H2
InChIKeyZJKUKRNVZDDMAQ-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.72
Rot. Bonds4

About 1-amino-3-(3,5-dichloroanilino)propan-2-ol

1-amino-3-(3,5-dichloroanilino)propan-2-ol (PubChem CID 82044189) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 1-amino-3-(3,5-dichloroanilino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3,5-dichloroanilino)propan-2-ol
PubChem CID82044189
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name1-amino-3-(3,5-dichloroanilino)propan-2-ol
SMILESNCC(O)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H12Cl2N2O/c10-6-1-7(11)3-8(2-6)13-5-9(14)4-12/h1-3,9,13-14H,4-5,12H2
InChIKeyZJKUKRNVZDDMAQ-UHFFFAOYSA-N
XLogP1.72
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(3,5-dimethylanilino)propan-2-ol
CID 82040092
1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60897711
1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol
CID 168636370
1-(3-bromo-5-chloroanilino)butan-2-ol
CID 131187308
1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60896952
1-amino-3-(3-bromoanilino)propan-2-ol
CID 15564361
3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol
CID 168593759
1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
CID 82044855
1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
CID 83924872
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 90384799
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol
CID 115121170

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,5-dichloroanilino)propan-2-ol?
The IUPAC name of 1-amino-3-(3,5-dichloroanilino)propan-2-ol (CID 82044189) is 1-amino-3-(3,5-dichloroanilino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3,5-dichloroanilino)propan-2-ol?
The canonical SMILES for 1-amino-3-(3,5-dichloroanilino)propan-2-ol is NCC(O)CNc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-amino-3-(3,5-dichloroanilino)propan-2-ol?
The InChIKey is ZJKUKRNVZDDMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c10-6-1-7(11)3-8(2-6)13-5-9(14)4-12/h1-3,9,13-14H,4-5,12H2.
What are the key properties of 1-amino-3-(3,5-dichloroanilino)propan-2-ol?
1-amino-3-(3,5-dichloroanilino)propan-2-ol has a molecular weight of 235.11 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,5-dichloroanilino)propan-2-ol is sourced from PubChem (CID 82044189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).