4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline

C14H14ClFN2 — CID 82303954

IUPAC4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline
SMILESCc1cc(Cl)ccc1Nc1ccc(CN)cc1F
InChIInChI=1S/C14H14ClFN2/c1-9-6-11(15)3-5-13(9)18-14-4-2-10(8-17)7-12(14)16/h2-7,18H,8,17H2,1H3
InChIKeyQDSAAEOXVJEQEN-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.99
Rot. Bonds3

About 4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline

4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline (PubChem CID 82303954) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline
PubChem CID82303954
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline
SMILESCc1cc(Cl)ccc1Nc1ccc(CN)cc1F
InChIInChI=1S/C14H14ClFN2/c1-9-6-11(15)3-5-13(9)18-14-4-2-10(8-17)7-12(14)16/h2-7,18H,8,17H2,1H3
InChIKeyQDSAAEOXVJEQEN-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline
CID 82294319
4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline
CID 82297676
5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine
CID 82296151
4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline
CID 82303958
4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline
CID 82295213
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
(4-hydrazinyl-3-methylphenyl)methanamine
CID 155688664
5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 28716515
3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide
CID 82546496
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
CID 147437402
CID 147437402

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline?
The IUPAC name of 4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline (CID 82303954) is 4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline?
The canonical SMILES for 4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline is Cc1cc(Cl)ccc1Nc1ccc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline?
The InChIKey is QDSAAEOXVJEQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-9-6-11(15)3-5-13(9)18-14-4-2-10(8-17)7-12(14)16/h2-7,18H,8,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline?
4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline has a molecular weight of 264.73 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline is sourced from PubChem (CID 82303954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).