benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine

C22H29F3N2 — CID 143454290

IUPACbenzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine
SMILESCC(CN)CCC1CNc2ccc(C(F)(F)F)cc2C1C.c1ccccc1
InChIInChI=1S/C16H23F3N2.C6H6/c1-10(8-20)3-4-12-9-21-15-6-5-13(16(17,18)19)7-14(15)11(12)2;1-2-4-6-5-3-1/h5-7,10-12,21H,3-4,8-9,20H2,1-2H3;1-6H
InChIKeyWYRWTPFCRXLTRF-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.91
Rot. Bonds4

About benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine

benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine (PubChem CID 143454290) has the molecular formula C22H29F3N2 and a molecular weight of 378.48 g/mol. Its IUPAC name is benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine.

Molecular Properties

Compound Namebenzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine
PubChem CID143454290
Molecular FormulaC22H29F3N2
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC Namebenzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine
SMILESCC(CN)CCC1CNc2ccc(C(F)(F)F)cc2C1C.c1ccccc1
InChIInChI=1S/C16H23F3N2.C6H6/c1-10(8-20)3-4-12-9-21-15-6-5-13(16(17,18)19)7-14(15)11(12)2;1-2-4-6-5-3-1/h5-7,10-12,21H,3-4,8-9,20H2,1-2H3;1-6H
InChIKeyWYRWTPFCRXLTRF-UHFFFAOYSA-N
XLogP5.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;3-(methylamino)-N-[3-methyl-5-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]pentyl]propane-1-sulfonamide
CID 143454491
3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986184
3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986061
(2R)-2-methyl-4-[(2R,3R,4S)-4-methyl-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-ol
CID 118680227
N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine
CID 117201677
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085
(2R)-4-[(2S,3R,4S)-2-cyclohexa-2,4-dien-1-yl-4-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-2-methylbutan-1-amine
CID 71063151
2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine
CID 82622397
3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386100
3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106985958
ethane;4-[(2R)-3-(4-hydroxy-3-methylbutyl)-4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol
CID 143454432
(2R,3R,4S)-3-[(3R)-4-(dimethylsulfamoylamino)-3-methylbutyl]-4-methyl-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 71193393

Frequently Asked Questions

What is the IUPAC name of benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine?
The IUPAC name of benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine (CID 143454290) is benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine.
What is the SMILES notation for benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine?
The canonical SMILES for benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine is CC(CN)CCC1CNc2ccc(C(F)(F)F)cc2C1C.c1ccccc1.
What is the InChIKey of benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine?
The InChIKey is WYRWTPFCRXLTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2.C6H6/c1-10(8-20)3-4-12-9-21-15-6-5-13(16(17,18)19)7-14(15)11(12)2;1-2-4-6-5-3-1/h5-7,10-12,21H,3-4,8-9,20H2,1-2H3;1-6H.
What are the key properties of benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine?
benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine has a molecular weight of 378.48 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine is sourced from PubChem (CID 143454290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).