1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol

C10H11Br3ClNO — CID 168636697

IUPAC1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol
SMILESCc1c(Br)cc(Br)c(NCC(O)CCl)c1Br
InChIInChI=1S/C10H11Br3ClNO/c1-5-7(11)2-8(12)10(9(5)13)15-4-6(16)3-14/h2,6,15-16H,3-4H2,1H3
InChIKeyFOVMJZQJKRGVON-UHFFFAOYSA-N
MW436.37 g/mol
LogP4.29
Rot. Bonds4

About 1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol

1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol (PubChem CID 168636697) has the molecular formula C10H11Br3ClNO and a molecular weight of 436.37 g/mol. Its IUPAC name is 1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol
PubChem CID168636697
Molecular FormulaC10H11Br3ClNO
Molecular Weight436.37 g/mol
Exact Mass432.81
IUPAC Name1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol
SMILESCc1c(Br)cc(Br)c(NCC(O)CCl)c1Br
InChIInChI=1S/C10H11Br3ClNO/c1-5-7(11)2-8(12)10(9(5)13)15-4-6(16)3-14/h2,6,15-16H,3-4H2,1H3
InChIKeyFOVMJZQJKRGVON-UHFFFAOYSA-N
XLogP4.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-chloro-3-methylanilino)-3-chloropropan-2-ol
CID 168638658
1-(3-bromo-4-chloro-5-methylanilino)-3-chloropropan-2-ol
CID 168638620
1-(6-bromo-2-chloro-3,4-difluoroanilino)-3-chloropropan-2-ol
CID 168637029
1-(2-bromo-3,4,6-trifluoroanilino)-3-chloropropan-2-ol
CID 168640617
1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol
CID 20748857
2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol
CID 168636765
1-(2-bromo-4-propan-2-ylanilino)-3-chloropropan-2-ol
CID 168636569
(2S)-3-(2,4,6-tribromoanilino)propane-1,2-diol
CID 61142582
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 168637700
3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol
CID 168593328
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
CID 118665853

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol (CID 168636697) is 1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol is Cc1c(Br)cc(Br)c(NCC(O)CCl)c1Br.
What is the InChIKey of 1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol?
The InChIKey is FOVMJZQJKRGVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br3ClNO/c1-5-7(11)2-8(12)10(9(5)13)15-4-6(16)3-14/h2,6,15-16H,3-4H2,1H3.
What are the key properties of 1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol?
1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol has a molecular weight of 436.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol is sourced from PubChem (CID 168636697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).