3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol

C10H13ClFNO — CID 115216703

IUPAC3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol
SMILESCc1cc(Cl)c(NCCCO)cc1F
InChIInChI=1S/C10H13ClFNO/c1-7-5-8(11)10(6-9(7)12)13-3-2-4-14/h5-6,13-14H,2-4H2,1H3
InChIKeyIMJLFGFLOJSSES-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.58
Rot. Bonds4

About 3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol

3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol (PubChem CID 115216703) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol
PubChem CID115216703
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol
SMILESCc1cc(Cl)c(NCCCO)cc1F
InChIInChI=1S/C10H13ClFNO/c1-7-5-8(11)10(6-9(7)12)13-3-2-4-14/h5-6,13-14H,2-4H2,1H3
InChIKeyIMJLFGFLOJSSES-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

N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
CID 115225495
2-chloro-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzamide
CID 117044380
3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol
CID 130671051
3-(2-chloro-4-fluoro-5-methylanilino)propanoic acid
CID 130520765
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxyacetamide
CID 115139648
ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate
CID 115257255
2-chloro-4-fluoro-5-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 112734641
2-chloro-5-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115210629
2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
CID 115131719
2-[(2-chloro-5-fluoro-4-methylanilino)methyl]-3-methylbutanenitrile
CID 115254319
2,5-dichloro-4-methyl-N-octylaniline
CID 113445759

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol?
The IUPAC name of 3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol (CID 115216703) is 3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol.
What is the SMILES notation for 3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol?
The canonical SMILES for 3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol is Cc1cc(Cl)c(NCCCO)cc1F.
What is the InChIKey of 3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol?
The InChIKey is IMJLFGFLOJSSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-7-5-8(11)10(6-9(7)12)13-3-2-4-14/h5-6,13-14H,2-4H2,1H3.
What are the key properties of 3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol?
3-(2-chloro-5-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-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol is sourced from PubChem (CID 115216703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).