1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine

C12H18FN — CID 60819926

IUPAC1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(C)c(F)c1
InChIInChI=1S/C12H18FN/c1-4-5-12(14-3)10-7-6-9(2)11(13)8-10/h6-8,12,14H,4-5H2,1-3H3
InChIKeyDQXZESPKKGPKCB-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.19
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine

1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine (PubChem CID 60819926) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
PubChem CID60819926
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(C)c(F)c1
InChIInChI=1S/C12H18FN/c1-4-5-12(14-3)10-7-6-9(2)11(13)8-10/h6-8,12,14H,4-5H2,1-3H3
InChIKeyDQXZESPKKGPKCB-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701
1-(3-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 62599815
N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine
CID 82922591
1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 107130321
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
CID 60820090
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide
CID 65236584
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine
CID 107129129
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine
CID 130150239

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine (CID 60819926) is 1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine is CCCC(NC)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine?
The InChIKey is DQXZESPKKGPKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-4-5-12(14-3)10-7-6-9(2)11(13)8-10/h6-8,12,14H,4-5H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine?
1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 60819926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).