N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine

C19H22F3NO — CID 172652228

IUPACN-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine
SMILESCNCc1ccc(OC(F)(F)F)c(-c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C19H22F3NO/c1-13(2)10-14-4-7-16(8-5-14)17-11-15(12-23-3)6-9-18(17)24-19(20,21)22/h4-9,11,13,23H,10,12H2,1-3H3
InChIKeyOWQOZEXVJHVZHI-UHFFFAOYSA-N
MW337.39 g/mol
LogP5.17
Rot. Bonds6

About N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine

N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 172652228) has the molecular formula C19H22F3NO and a molecular weight of 337.39 g/mol. Its IUPAC name is N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine
PubChem CID172652228
Molecular FormulaC19H22F3NO
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine
SMILESCNCc1ccc(OC(F)(F)F)c(-c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C19H22F3NO/c1-13(2)10-14-4-7-16(8-5-14)17-11-15(12-23-3)6-9-18(17)24-19(20,21)22/h4-9,11,13,23H,10,12H2,1-3H3
InChIKeyOWQOZEXVJHVZHI-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.39
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118833201
1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine
CID 70907082
N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 66478855
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
CID 172652225
1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
CID 172652256
fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid
CID 173048875
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54910277
1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
CID 172652258
1-butoxy-4-methyl-2-[4-(2-methylpropyl)phenyl]benzene
CID 59132679
(2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 150225443
N-methyl-1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 141113146

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine (CID 172652228) is N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine is CNCc1ccc(OC(F)(F)F)c(-c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is OWQOZEXVJHVZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO/c1-13(2)10-14-4-7-16(8-5-14)17-11-15(12-23-3)6-9-18(17)24-19(20,21)22/h4-9,11,13,23H,10,12H2,1-3H3.
What are the key properties of N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine?
N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 337.39 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 172652228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).