2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline

C15H16ClFN2 — CID 95483003

IUPAC2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline
SMILESCc1c(Cl)cccc1Nc1cccc(F)c1CCN
InChIInChI=1S/C15H16ClFN2/c1-10-12(16)4-2-6-14(10)19-15-7-3-5-13(17)11(15)8-9-18/h2-7,19H,8-9,18H2,1H3
InChIKeyUBPNKLPXUCVZCW-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.03
Rot. Bonds4

About 2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline

2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline (PubChem CID 95483003) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline
PubChem CID95483003
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline
SMILESCc1c(Cl)cccc1Nc1cccc(F)c1CCN
InChIInChI=1S/C15H16ClFN2/c1-10-12(16)4-2-6-14(10)19-15-7-3-5-13(17)11(15)8-9-18/h2-7,19H,8-9,18H2,1H3
InChIKeyUBPNKLPXUCVZCW-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline
CID 82297673
1-N-(3-chloro-2-methylphenyl)-2,6-difluorobenzene-1,4-diamine
CID 54902665
2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline
CID 95476937
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027234
3-N-(3-chloro-2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 55147951
4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 43657055
2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
CID 53403713
2-chloro-6-(3-chloro-2-methylanilino)benzenecarbothioamide
CID 62501422
2-N-(3-chloro-2-methylphenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63593804
2-bromo-4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 107533030

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline?
The IUPAC name of 2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline (CID 95483003) is 2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline?
The canonical SMILES for 2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline is Cc1c(Cl)cccc1Nc1cccc(F)c1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline?
The InChIKey is UBPNKLPXUCVZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10-12(16)4-2-6-14(10)19-15-7-3-5-13(17)11(15)8-9-18/h2-7,19H,8-9,18H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline?
2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline has a molecular weight of 278.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline is sourced from PubChem (CID 95483003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).