2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine

C12H18FN — CID 170020811

IUPAC2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine
SMILESCc1ccc(C(C)CN(C)C)cc1F
InChIInChI=1S/C12H18FN/c1-9-5-6-11(7-12(9)13)10(2)8-14(3)4/h5-7,10H,8H2,1-4H3
InChIKeyXCVCBGUJAFZFNO-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.80
Rot. Bonds3

About 2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine

2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170020811) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine
PubChem CID170020811
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine
SMILESCc1ccc(C(C)CN(C)C)cc1F
InChIInChI=1S/C12H18FN/c1-9-5-6-11(7-12(9)13)10(2)8-14(3)4/h5-7,10H,8H2,1-4H3
InChIKeyXCVCBGUJAFZFNO-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-fluoro-4-methylphenyl)pentan-2-ol
CID 107129476
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
N,N-dimethyl-2-(4-methylphenyl)propan-1-amine
CID 143373779
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol
CID 55245379
3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine
CID 130604689
1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649
1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol
CID 107130631
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
1-(3-fluoro-4-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983968
2-N-[(3-fluoro-4-methylphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 63646229
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene
CID 153499802

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine (CID 170020811) is 2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine is Cc1ccc(C(C)CN(C)C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is XCVCBGUJAFZFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9-5-6-11(7-12(9)13)10(2)8-14(3)4/h5-7,10H,8H2,1-4H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine?
2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170020811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).