N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine

C16H24FN — CID 65297277

IUPACN-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(F)c(C)c1)C1CC1C
InChIInChI=1S/C16H24FN/c1-5-6-18-16(14-9-10(14)2)13-7-11(3)15(17)12(4)8-13/h7-8,10,14,16,18H,5-6,9H2,1-4H3
InChIKeyZQTAUYQDYFBORQ-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.14
Rot. Bonds5

About N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine

N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 65297277) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
PubChem CID65297277
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(F)c(C)c1)C1CC1C
InChIInChI=1S/C16H24FN/c1-5-6-18-16(14-9-10(14)2)13-7-11(3)15(17)12(4)8-13/h7-8,10,14,16,18H,5-6,9H2,1-4H3
InChIKeyZQTAUYQDYFBORQ-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177899
N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625497
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine
CID 107289047
N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 43496613
N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 106680685
N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine
CID 62079995
N-[(2-ethoxy-5-methylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 62303505
N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107562085
N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine
CID 65296826
N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43493659
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419979

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine (CID 65297277) is N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine is CCCNC(c1cc(C)c(F)c(C)c1)C1CC1C.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is ZQTAUYQDYFBORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-5-6-18-16(14-9-10(14)2)13-7-11(3)15(17)12(4)8-13/h7-8,10,14,16,18H,5-6,9H2,1-4H3.
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 65297277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).