3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine

C14H15F3N2 — CID 105378460

IUPAC3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
SMILESCc1ccc2cc(CNCCC(F)(F)F)ccc2n1
InChIInChI=1S/C14H15F3N2/c1-10-2-4-12-8-11(3-5-13(12)19-10)9-18-7-6-14(15,16)17/h2-5,8,18H,6-7,9H2,1H3
InChIKeyIUQPJCCSBFWEHR-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.59
Rot. Bonds4

About 3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine

3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine (PubChem CID 105378460) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
PubChem CID105378460
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
SMILESCc1ccc2cc(CNCCC(F)(F)F)ccc2n1
InChIInChI=1S/C14H15F3N2/c1-10-2-4-12-8-11(3-5-13(12)19-10)9-18-7-6-14(15,16)17/h2-5,8,18H,6-7,9H2,1H3
InChIKeyIUQPJCCSBFWEHR-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide
CID 105378256
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 106008790
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378704
1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 105378240
N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine
CID 105378350
3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine
CID 105378521
N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 102609729
3,3,3-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63226166

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine (CID 105378460) is 3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine is Cc1ccc2cc(CNCCC(F)(F)F)ccc2n1.
What is the InChIKey of 3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine?
The InChIKey is IUQPJCCSBFWEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-10-2-4-12-8-11(3-5-13(12)19-10)9-18-7-6-14(15,16)17/h2-5,8,18H,6-7,9H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine?
3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine has a molecular weight of 268.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 105378460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).