3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine

C12H18FN — CID 105449357

IUPAC3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine
SMILESCNCCC(C)(F)c1cccc(C)c1
InChIInChI=1S/C12H18FN/c1-10-5-4-6-11(9-10)12(2,13)7-8-14-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyISCHAKDMOBAEHR-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.79
Rot. Bonds4

About 3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine

3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine (PubChem CID 105449357) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine
PubChem CID105449357
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine
SMILESCNCCC(C)(F)c1cccc(C)c1
InChIInChI=1S/C12H18FN/c1-10-5-4-6-11(9-10)12(2,13)7-8-14-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyISCHAKDMOBAEHR-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-methyl-3-phenylbutan-1-amine
CID 105439612
3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine
CID 105465072
3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine
CID 105475062
1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 62595182
1-(2-fluorobut-3-en-2-yl)-3-methylbenzene
CID 138579646
1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057
2-methyl-1-[2-methyl-2-(3-methylphenyl)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472925
N,3-dimethyl-3-phenylbutan-1-amine
CID 62966813
2-(3-methylphenyl)-N,2-dipropylpentan-1-amine
CID 63510909
1-[3,5-diethyl-4,4-difluoro-5-(3-methylphenyl)heptan-3-yl]-3-methylbenzene
CID 137435813
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine?
The IUPAC name of 3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine (CID 105449357) is 3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine.
What is the SMILES notation for 3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine?
The canonical SMILES for 3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine is CNCCC(C)(F)c1cccc(C)c1.
What is the InChIKey of 3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine?
The InChIKey is ISCHAKDMOBAEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-10-5-4-6-11(9-10)12(2,13)7-8-14-3/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine?
3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine is sourced from PubChem (CID 105449357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).