7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine

C18H16F3N3 — CID 155540231

IUPAC7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine
SMILESCc1cc(N)nc2cc(-c3ccc(C(F)(F)F)c(CN)c3)ccc12
InChIInChI=1S/C18H16F3N3/c1-10-6-17(23)24-16-8-12(2-4-14(10)16)11-3-5-15(18(19,20)21)13(7-11)9-22/h2-8H,9,22H2,1H3,(H2,23,24)
InChIKeyMWZAFNMVLDEGCT-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.27
Rot. Bonds2

About 7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine

7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine (PubChem CID 155540231) has the molecular formula C18H16F3N3 and a molecular weight of 331.34 g/mol. Its IUPAC name is 7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine.

Molecular Properties

Compound Name7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine
PubChem CID155540231
Molecular FormulaC18H16F3N3
Molecular Weight331.34 g/mol
Exact Mass331.13
IUPAC Name7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine
SMILESCc1cc(N)nc2cc(-c3ccc(C(F)(F)F)c(CN)c3)ccc12
InChIInChI=1S/C18H16F3N3/c1-10-6-17(23)24-16-8-12(2-4-14(10)16)11-3-5-15(18(19,20)21)13(7-11)9-22/h2-8H,9,22H2,1H3,(H2,23,24)
InChIKeyMWZAFNMVLDEGCT-UHFFFAOYSA-N
XLogP4.27
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine?
The IUPAC name of 7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine (CID 155540231) is 7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine.
What is the SMILES notation for 7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine?
The canonical SMILES for 7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine is Cc1cc(N)nc2cc(-c3ccc(C(F)(F)F)c(CN)c3)ccc12.
What is the InChIKey of 7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine?
The InChIKey is MWZAFNMVLDEGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3/c1-10-6-17(23)24-16-8-12(2-4-14(10)16)11-3-5-15(18(19,20)21)13(7-11)9-22/h2-8H,9,22H2,1H3,(H2,23,24).
What are the key properties of 7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine?
7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine has a molecular weight of 331.34 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine is sourced from PubChem (CID 155540231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).