1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine

C18H22FN — CID 105143233

IUPAC1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCNC(CCc1cccc(C)c1)c1cc(C)ccc1F
InChIInChI=1S/C18H22FN/c1-13-5-4-6-15(11-13)8-10-18(20-3)16-12-14(2)7-9-17(16)19/h4-7,9,11-12,18,20H,8,10H2,1-3H3
InChIKeyZSZFOWSCDCUKEA-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.34
Rot. Bonds5

About 1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine

1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine (PubChem CID 105143233) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
PubChem CID105143233
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCNC(CCc1cccc(C)c1)c1cc(C)ccc1F
InChIInChI=1S/C18H22FN/c1-13-5-4-6-15(11-13)8-10-18(20-3)16-12-14(2)7-9-17(16)19/h4-7,9,11-12,18,20H,8,10H2,1-3H3
InChIKeyZSZFOWSCDCUKEA-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105144092
1-(2-fluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 62790209
1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105092929
2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 62516727
1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine
CID 115837280
N-[1-(2-fluoro-5-methylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63415224
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105143608
2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 103052743
[1-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105302706
[1-(2,5-difluorophenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105208925

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine (CID 105143233) is 1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine is CNC(CCc1cccc(C)c1)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
The InChIKey is ZSZFOWSCDCUKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-5-4-6-15(11-13)8-10-18(20-3)16-12-14(2)7-9-17(16)19/h4-7,9,11-12,18,20H,8,10H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 105143233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).