3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline

C14H14ClFN2 — CID 116936695

IUPAC3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline
SMILESCNc1cccc(C(N)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H14ClFN2/c1-18-11-4-2-3-9(7-11)14(17)12-8-10(15)5-6-13(12)16/h2-8,14,18H,17H2,1H3
InChIKeyPXHPCWZOBGPSSE-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.57
Rot. Bonds3

About 3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline

3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline (PubChem CID 116936695) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline
PubChem CID116936695
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline
SMILESCNc1cccc(C(N)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H14ClFN2/c1-18-11-4-2-3-9(7-11)14(17)12-8-10(15)5-6-13(12)16/h2-8,14,18H,17H2,1H3
InChIKeyPXHPCWZOBGPSSE-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[amino-(5-chloro-2-fluorophenyl)methyl]aniline
CID 116936598
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
3-[amino-(2-bromophenyl)methyl]-N-methylaniline
CID 116936726
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline
CID 116936668
(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
CID 81045120
(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114885982
3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline
CID 116936708
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline
CID 116951972
3-[amino(1H-indol-3-yl)methyl]-N-methylaniline
CID 116936685

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline?
The IUPAC name of 3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline (CID 116936695) is 3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline is CNc1cccc(C(N)c2cc(Cl)ccc2F)c1.
What is the InChIKey of 3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline?
The InChIKey is PXHPCWZOBGPSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-18-11-4-2-3-9(7-11)14(17)12-8-10(15)5-6-13(12)16/h2-8,14,18H,17H2,1H3.
What are the key properties of 3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline?
3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline has a molecular weight of 264.73 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 116936695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).