4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline

C16H18ClFN2 — CID 115366851

IUPAC4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C16H18ClFN2/c1-11(12-3-6-14(17)7-4-12)20(2)15-8-5-13(10-19)16(18)9-15/h3-9,11H,10,19H2,1-2H3
InChIKeySXFCQAYZICNTDL-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.14
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline

4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline (PubChem CID 115366851) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
PubChem CID115366851
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C16H18ClFN2/c1-11(12-3-6-14(17)7-4-12)20(2)15-8-5-13(10-19)16(18)9-15/h3-9,11H,10,19H2,1-2H3
InChIKeySXFCQAYZICNTDL-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 113295417
2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 62980335
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
3-N-[1-(4-chlorophenyl)ethyl]-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 55140660
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 102813927
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567
(1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78941055
4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 115366634
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984905
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 102824202
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline
CID 115366683

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline (CID 115366851) is 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline is CC(c1ccc(Cl)cc1)N(C)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline?
The InChIKey is SXFCQAYZICNTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-11(12-3-6-14(17)7-4-12)20(2)15-8-5-13(10-19)16(18)9-15/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline?
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline has a molecular weight of 292.79 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 115366851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).