4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol

C11H16ClFN2O2 — CID 114163073

IUPAC4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1cc(F)c(Cl)cc1N
InChIInChI=1S/C11H16ClFN2O2/c1-17-6-7(16)2-3-15-11-5-9(13)8(12)4-10(11)14/h4-5,7,15-16H,2-3,6,14H2,1H3
InChIKeyRXDBYRKSXHQADW-UHFFFAOYSA-N
MW262.71 g/mol
LogP1.87
Rot. Bonds6

About 4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol

4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol (PubChem CID 114163073) has the molecular formula C11H16ClFN2O2 and a molecular weight of 262.71 g/mol. Its IUPAC name is 4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol
PubChem CID114163073
Molecular FormulaC11H16ClFN2O2
Molecular Weight262.71 g/mol
Exact Mass262.09
IUPAC Name4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1cc(F)c(Cl)cc1N
InChIInChI=1S/C11H16ClFN2O2/c1-17-6-7(16)2-3-15-11-5-9(13)8(12)4-10(11)14/h4-5,7,15-16H,2-3,6,14H2,1H3
InChIKeyRXDBYRKSXHQADW-UHFFFAOYSA-N
XLogP1.87
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol
CID 66077275
4-chloro-5-fluoro-1-N-[3-(2-methoxyethoxy)propyl]benzene-1,2-diamine
CID 114097566
4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol
CID 106243145
4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine
CID 66077409
4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide
CID 106243281
4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol
CID 106243117
6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-3H-1,3-benzoxazol-2-one
CID 106243226
tert-butyl N-[2-(2-amino-4-chloro-5-fluoroanilino)ethyl]carbamate
CID 114517992
4-chloro-5-fluoro-1-N-[4-[methyl(propan-2-yl)amino]butyl]benzene-1,2-diamine
CID 66077440
1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol
CID 116735989
4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol
CID 106243071
3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide
CID 106166630

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol?
The IUPAC name of 4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol (CID 114163073) is 4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol is COCC(O)CCNc1cc(F)c(Cl)cc1N.
What is the InChIKey of 4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol?
The InChIKey is RXDBYRKSXHQADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2/c1-17-6-7(16)2-3-15-11-5-9(13)8(12)4-10(11)14/h4-5,7,15-16H,2-3,6,14H2,1H3.
What are the key properties of 4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol?
4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol has a molecular weight of 262.71 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol is sourced from PubChem (CID 114163073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).