5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline

C17H18ClFN2 — CID 114850424

IUPAC5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline
SMILESCN(c1ccc(F)cc1)c1cc(Cl)ccc1CNC1CC1
InChIInChI=1S/C17H18ClFN2/c1-21(16-8-4-14(19)5-9-16)17-10-13(18)3-2-12(17)11-20-15-6-7-15/h2-5,8-10,15,20H,6-7,11H2,1H3
InChIKeySVTKTLXQJPZMSK-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.50
Rot. Bonds5

About 5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline

5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline (PubChem CID 114850424) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline
PubChem CID114850424
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline
SMILESCN(c1ccc(F)cc1)c1cc(Cl)ccc1CNC1CC1
InChIInChI=1S/C17H18ClFN2/c1-21(16-8-4-14(19)5-9-16)17-10-13(18)3-2-12(17)11-20-15-6-7-15/h2-5,8-10,15,20H,6-7,11H2,1H3
InChIKeySVTKTLXQJPZMSK-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline
CID 114850525
2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 114861214
N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857647
5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline
CID 114848269
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
CID 62136200
N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 106879368
5-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848953
4-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylpyridin-2-amine
CID 62292831
N-[(5-chloro-2-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114841579
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871
5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766848

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline?
The IUPAC name of 5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline (CID 114850424) is 5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline?
The canonical SMILES for 5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline is CN(c1ccc(F)cc1)c1cc(Cl)ccc1CNC1CC1.
What is the InChIKey of 5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline?
The InChIKey is SVTKTLXQJPZMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c1-21(16-8-4-14(19)5-9-16)17-10-13(18)3-2-12(17)11-20-15-6-7-15/h2-5,8-10,15,20H,6-7,11H2,1H3.
What are the key properties of 5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline?
5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline has a molecular weight of 304.80 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 114850424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).