N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine

C14H13ClF3N3 — CID 62970817

IUPACN-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1cccc(CN)c1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H13ClF3N3/c1-21(11-4-2-3-9(5-11)7-19)13-12(15)6-10(8-20-13)14(16,17)18/h2-6,8H,7,19H2,1H3
InChIKeyMKPLORFBUPWNAX-UHFFFAOYSA-N
MW315.73 g/mol
LogP3.98
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine

N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 62970817) has the molecular formula C14H13ClF3N3 and a molecular weight of 315.73 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID62970817
Molecular FormulaC14H13ClF3N3
Molecular Weight315.73 g/mol
Exact Mass315.08
IUPAC NameN-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1cccc(CN)c1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H13ClF3N3/c1-21(11-4-2-3-9(5-11)7-19)13-12(15)6-10(8-20-13)14(16,17)18/h2-6,8H,7,19H2,1H3
InChIKeyMKPLORFBUPWNAX-UHFFFAOYSA-N
XLogP3.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 62970817) is N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine is CN(c1cccc(CN)c1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MKPLORFBUPWNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3/c1-21(11-4-2-3-9(5-11)7-19)13-12(15)6-10(8-20-13)14(16,17)18/h2-6,8H,7,19H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 315.73 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 62970817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).