N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine

C12H18FN — CID 60820092

IUPACN-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C12H18FN/c1-4-7-14-10(3)11-6-5-9(2)12(13)8-11/h5-6,8,10,14H,4,7H2,1-3H3
InChIKeyWQRMDDVHHNKADP-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine

N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine (PubChem CID 60820092) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
PubChem CID60820092
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC NameN-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C12H18FN/c1-4-7-14-10(3)11-6-5-9(2)12(13)8-11/h5-6,8,10,14H,4,7H2,1-3H3
InChIKeyWQRMDDVHHNKADP-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

2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine
CID 43286080
N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 60884515
(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol
CID 97051735
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
N-[(3-fluoro-4-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494693
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 43497580
1-(3-fluoro-4-methylphenyl)-2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 114222098
1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol
CID 113261628
2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 43284666
3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol
CID 103783024
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-methylsulfinylbutan-1-amine
CID 113348963

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine (CID 60820092) is N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine is CCCNC(C)c1ccc(C)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine?
The InChIKey is WQRMDDVHHNKADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-4-7-14-10(3)11-6-5-9(2)12(13)8-11/h5-6,8,10,14H,4,7H2,1-3H3.
What are the key properties of N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine?
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-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 N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 60820092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).