2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline

C15H16ClFN2 — CID 61414831

IUPAC2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
SMILESCN(Cc1ccc(Cl)cc1)Cc1cc(F)ccc1N
InChIInChI=1S/C15H16ClFN2/c1-19(9-11-2-4-13(16)5-3-11)10-12-8-14(17)6-7-15(12)18/h2-8H,9-10,18H2,1H3
InChIKeyLWLPBLIEEJGBRX-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.69
Rot. Bonds4

About 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline

2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline (PubChem CID 61414831) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
PubChem CID61414831
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
SMILESCN(Cc1ccc(Cl)cc1)Cc1cc(F)ccc1N
InChIInChI=1S/C15H16ClFN2/c1-19(9-11-2-4-13(16)5-3-11)10-12-8-14(17)6-7-15(12)18/h2-8H,9-10,18H2,1H3
InChIKeyLWLPBLIEEJGBRX-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-fluoroaniline
CID 107347290
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753
2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
1-(4-chlorophenyl)-N-[[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-N-methylmethanamine
CID 113249472
4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43443766
2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline
CID 115557065
4-fluoro-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526553
3-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluorobenzonitrile
CID 60703913
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
2-[(2-amino-5-fluorophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43443776

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline?
The IUPAC name of 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline (CID 61414831) is 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline.
What is the SMILES notation for 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline?
The canonical SMILES for 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline is CN(Cc1ccc(Cl)cc1)Cc1cc(F)ccc1N.
What is the InChIKey of 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline?
The InChIKey is LWLPBLIEEJGBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-19(9-11-2-4-13(16)5-3-11)10-12-8-14(17)6-7-15(12)18/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline?
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline has a molecular weight of 278.76 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline is sourced from PubChem (CID 61414831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).