1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine

C18H22FN — CID 63424877

IUPAC1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine
SMILESCCCCc1ccc(-c2cc(CNC)ccc2F)cc1
InChIInChI=1S/C18H22FN/c1-3-4-5-14-6-9-16(10-7-14)17-12-15(13-20-2)8-11-18(17)19/h6-12,20H,3-5,13H2,1-2H3
InChIKeyJKHXQHRUBQHGLB-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.55
Rot. Bonds6

About 1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine

1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine (PubChem CID 63424877) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine
PubChem CID63424877
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine
SMILESCCCCc1ccc(-c2cc(CNC)ccc2F)cc1
InChIInChI=1S/C18H22FN/c1-3-4-5-14-6-9-16(10-7-14)17-12-15(13-20-2)8-11-18(17)19/h6-12,20H,3-5,13H2,1-2H3
InChIKeyJKHXQHRUBQHGLB-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine
CID 116545345
1-(4-fluoro-3-naphthalen-2-ylphenyl)-N-methylmethanamine
CID 61032587
1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 107289695
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene
CID 141109790
1-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-methylmethanamine
CID 81447035
3-[4-(4-butylphenyl)phenyl]-2,5,6-trifluoropyridine
CID 23190501
N-methyl-1-(4-octylphenyl)methanamine;hydrochloride
CID 173405325
2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene
CID 67866294
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpentan-1-amine
CID 107454220

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine (CID 63424877) is 1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine is CCCCc1ccc(-c2cc(CNC)ccc2F)cc1.
What is the InChIKey of 1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is JKHXQHRUBQHGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-4-5-14-6-9-16(10-7-14)17-12-15(13-20-2)8-11-18(17)19/h6-12,20H,3-5,13H2,1-2H3.
What are the key properties of 1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine?
1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 63424877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).