[3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine

C15H15Cl2FN2 — CID 123483002

IUPAC[3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine
SMILESCc1c(CN)cc(Cl)cc1-c1cc(Cl)cc(F)c1CN
InChIInChI=1S/C15H15Cl2FN2/c1-8-9(6-19)2-10(16)3-12(8)13-4-11(17)5-15(18)14(13)7-20/h2-5H,6-7,19-20H2,1H3
InChIKeyLIEIVYVSQGVGBL-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.03
Rot. Bonds3

About [3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine

[3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine (PubChem CID 123483002) has the molecular formula C15H15Cl2FN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is [3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine
PubChem CID123483002
Molecular FormulaC15H15Cl2FN2
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name[3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine
SMILESCc1c(CN)cc(Cl)cc1-c1cc(Cl)cc(F)c1CN
InChIInChI=1S/C15H15Cl2FN2/c1-8-9(6-19)2-10(16)3-12(8)13-4-11(17)5-15(18)14(13)7-20/h2-5H,6-7,19-20H2,1H3
InChIKeyLIEIVYVSQGVGBL-UHFFFAOYSA-N
XLogP4.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichloro-2-methylphenyl)methanamine
CID 121228387
5-chloro-1,3-difluoro-2-(fluoromethyl)benzene
CID 130776716
(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine
CID 84770610
(3-chloro-4-fluoro-2-methylphenyl)methanamine
CID 84766568
(2,6-difluoro-4-methylphenyl)methanamine
CID 118595303
(3,5-difluoro-2,4-dimethylphenyl)methanamine
CID 84765917
3-(5-chloro-2-fluoro-3-methylphenyl)propan-1-amine
CID 84776580
[2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine
CID 106943291
[5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine
CID 66157888
1-(4-chloro-2,6-difluorophenyl)butan-2-amine
CID 130848043
5-chloro-3-fluoro-2-methylaniline
CID 18727792
2-(aminomethyl)-4-chloro-6-methylphenol
CID 12652125

Frequently Asked Questions

What is the IUPAC name of [3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine?
The IUPAC name of [3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine (CID 123483002) is [3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine.
What is the SMILES notation for [3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine?
The canonical SMILES for [3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine is Cc1c(CN)cc(Cl)cc1-c1cc(Cl)cc(F)c1CN.
What is the InChIKey of [3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine?
The InChIKey is LIEIVYVSQGVGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2/c1-8-9(6-19)2-10(16)3-12(8)13-4-11(17)5-15(18)14(13)7-20/h2-5H,6-7,19-20H2,1H3.
What are the key properties of [3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine?
[3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine has a molecular weight of 313.20 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine is sourced from PubChem (CID 123483002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).