3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol

C10H13ClFNO — CID 130671051

IUPAC3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol
SMILESCc1ccc(NCCCO)c(F)c1Cl
InChIInChI=1S/C10H13ClFNO/c1-7-3-4-8(10(12)9(7)11)13-5-2-6-14/h3-4,13-14H,2,5-6H2,1H3
InChIKeyGCODDPXHMJNTII-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.58
Rot. Bonds4

About 3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol

3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol (PubChem CID 130671051) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol
PubChem CID130671051
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol
SMILESCc1ccc(NCCCO)c(F)c1Cl
InChIInChI=1S/C10H13ClFNO/c1-7-3-4-8(10(12)9(7)11)13-5-2-6-14/h3-4,13-14H,2,5-6H2,1H3
InChIKeyGCODDPXHMJNTII-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-ethyl-2-fluoro-4-methylaniline
CID 131065352
3-(2,3,4-trifluoroanilino)propan-1-ol
CID 19609283
3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol
CID 115216703
3-(2-methylanilino)propan-1-ol
CID 18005925
3-chloro-2-fluoro-4-methyl-N-propan-2-ylaniline
CID 130917727
3-[(7,8-difluoro-2-methylquinolin-4-yl)amino]propan-1-ol
CID 133499965
3-(2-chloro-6-methylanilino)propan-1-ol
CID 18324834
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
2,3-difluoro-4-(6-hydroxyhexylamino)benzonitrile
CID 107934321
(3-chloro-2-fluoro-4-methylphenyl)boronic acid
CID 134128504
2-(3-hydroxypropylamino)-5-methylbenzonitrile
CID 107927398
3-[(2-methyl-3-pyridinyl)amino]propan-1-ol
CID 19782834

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol?
The IUPAC name of 3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol (CID 130671051) is 3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol.
What is the SMILES notation for 3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol?
The canonical SMILES for 3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol is Cc1ccc(NCCCO)c(F)c1Cl.
What is the InChIKey of 3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol?
The InChIKey is GCODDPXHMJNTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-7-3-4-8(10(12)9(7)11)13-5-2-6-14/h3-4,13-14H,2,5-6H2,1H3.
What are the key properties of 3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol?
3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol has a molecular weight of 217.67 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol is sourced from PubChem (CID 130671051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).