1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine

C18H22FN — CID 172652256

IUPAC1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(-c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C18H22FN/c1-13(2)8-14-4-6-16(7-5-14)17-9-15(12-20-3)10-18(19)11-17/h4-7,9-11,13,20H,8,12H2,1-3H3
InChIKeyJPMXQGUEBXWYKY-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.41
Rot. Bonds5

About 1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine

1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine (PubChem CID 172652256) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
PubChem CID172652256
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(-c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C18H22FN/c1-13(2)8-14-4-6-16(7-5-14)17-9-15(12-20-3)10-18(19)11-17/h4-7,9-11,13,20H,8,12H2,1-3H3
InChIKeyJPMXQGUEBXWYKY-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
CID 172652258
N-methyl-4-[4-(2-methylpropyl)phenyl]aniline
CID 116962445
N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine
CID 172652228
N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
CID 3528202
5-fluoro-2-[4-(2-methylpropyl)phenyl]benzonitrile
CID 166549498
1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine
CID 82540477
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
CID 144826203
N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine
CID 116897459
N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
CID 116545401
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene
CID 178141139

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine (CID 172652256) is 1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine is CNCc1cc(F)cc(-c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of 1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine?
The InChIKey is JPMXQGUEBXWYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13(2)8-14-4-6-16(7-5-14)17-9-15(12-20-3)10-18(19)11-17/h4-7,9-11,13,20H,8,12H2,1-3H3.
What are the key properties of 1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine?
1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 172652256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).