N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine

C16H24FN — CID 105374194

IUPACN-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1C)C1(C)CC1
InChIInChI=1S/C16H24FN/c1-4-9-18-15(16(3)7-8-16)11-13-10-14(17)6-5-12(13)2/h5-6,10,15,18H,4,7-9,11H2,1-3H3
InChIKeyYHGWJBKGNBTFDD-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.84
Rot. Bonds6

About N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine

N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine (PubChem CID 105374194) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine
PubChem CID105374194
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1C)C1(C)CC1
InChIInChI=1S/C16H24FN/c1-4-9-18-15(16(3)7-8-16)11-13-10-14(17)6-5-12(13)2/h5-6,10,15,18H,4,7-9,11H2,1-3H3
InChIKeyYHGWJBKGNBTFDD-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanamine
CID 105377271
N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine
CID 105374330
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704
[2-(4-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253513
2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanol
CID 105377576
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 105374110
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377335
N-[2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106829981
N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115826614
N-[2-(2,4-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105117632

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine (CID 105374194) is N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)ccc1C)C1(C)CC1.
What is the InChIKey of N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine?
The InChIKey is YHGWJBKGNBTFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-4-9-18-15(16(3)7-8-16)11-13-10-14(17)6-5-12(13)2/h5-6,10,15,18H,4,7-9,11H2,1-3H3.
What are the key properties of N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine?
N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine is sourced from PubChem (CID 105374194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).