N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine

C17H26FN — CID 115847405

IUPACN-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1cccc(C)c1F
InChIInChI=1S/C17H26FN/c1-3-11-19-16(12-14-8-4-5-9-14)15-10-6-7-13(2)17(15)18/h6-7,10,14,16,19H,3-5,8-9,11-12H2,1-2H3
InChIKeyKIDAOZKYIUWUIA-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.76
Rot. Bonds6

About N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine

N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine (PubChem CID 115847405) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
PubChem CID115847405
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1cccc(C)c1F
InChIInChI=1S/C17H26FN/c1-3-11-19-16(12-14-8-4-5-9-14)15-10-6-7-13(2)17(15)18/h6-7,10,14,16,19H,3-5,8-9,11-12H2,1-2H3
InChIKeyKIDAOZKYIUWUIA-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[1-(3-bromo-2-fluorophenyl)-2-cycloheptylethyl]propan-1-amine
CID 106647563
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 115847145
[2-cyclobutyl-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105310166
N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine
CID 65296826
N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863525
N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522643
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115847444
3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
2-cycloheptyl-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115850456

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine (CID 115847405) is N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine is CCCNC(CC1CCCC1)c1cccc(C)c1F.
What is the InChIKey of N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is KIDAOZKYIUWUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-3-11-19-16(12-14-8-4-5-9-14)15-10-6-7-13(2)17(15)18/h6-7,10,14,16,19H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine?
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115847405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).