3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline

C10H13ClFNO — CID 62535633

IUPAC3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline
SMILESCOCC(C)Nc1cccc(Cl)c1F
InChIInChI=1S/C10H13ClFNO/c1-7(6-14-2)13-9-5-3-4-8(11)10(9)12/h3-5,7,13H,6H2,1-2H3
InChIKeyCTBPJWRPVMUODR-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.93
Rot. Bonds4

About 3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline

3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline (PubChem CID 62535633) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline
PubChem CID62535633
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline
SMILESCOCC(C)Nc1cccc(Cl)c1F
InChIInChI=1S/C10H13ClFNO/c1-7(6-14-2)13-9-5-3-4-8(11)10(9)12/h3-5,7,13H,6H2,1-2H3
InChIKeyCTBPJWRPVMUODR-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 43115381
2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
CID 66251264
2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
CID 115923356
3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43085619
3-chloro-1-N-(1-ethoxypropan-2-yl)benzene-1,2-diamine
CID 104834375
3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 90001609
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]pyridin-3-amine
CID 92977511
methyl 2,3-difluoro-4-(1-methoxypropan-2-ylamino)benzoate
CID 79838264
N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106560747
2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 104726031
6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
CID 131065257

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline?
The IUPAC name of 3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline (CID 62535633) is 3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline.
What is the SMILES notation for 3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline?
The canonical SMILES for 3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline is COCC(C)Nc1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline?
The InChIKey is CTBPJWRPVMUODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-7(6-14-2)13-9-5-3-4-8(11)10(9)12/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline?
3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline has a molecular weight of 217.67 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline is sourced from PubChem (CID 62535633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).