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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Related Compounds

[2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine
CID 122490208
7-fluoro-4-methylquinolin-2-amine
CID 84618364
[4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 172650610
2-amino-4-methylquinoline-7-carboxylic acid
CID 14359530
7-methoxy-4-methylquinolin-2-amine
CID 53485904
[6-methyl-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105444009
[4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine
CID 82573650
[2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine
CID 154810032
2-methyl-4-(trifluoromethyl)quinolin-7-amine
CID 58489039
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine
CID 107289743
1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 145326539

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).