N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine

C17H25F2N — CID 65409865

IUPACN-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)cccc1F)C1CCC(CC)C1
InChIInChI=1S/C17H25F2N/c1-3-10-20-17(13-9-8-12(4-2)11-13)16-14(18)6-5-7-15(16)19/h5-7,12-13,17,20H,3-4,8-11H2,1-2H3
InChIKeyRFEQYQQKEFGDNQ-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.83
Rot. Bonds6

About N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine

N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine (PubChem CID 65409865) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine
PubChem CID65409865
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)cccc1F)C1CCC(CC)C1
InChIInChI=1S/C17H25F2N/c1-3-10-20-17(13-9-8-12(4-2)11-13)16-14(18)6-5-7-15(16)19/h5-7,12-13,17,20H,3-4,8-11H2,1-2H3
InChIKeyRFEQYQQKEFGDNQ-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-ethylcyclopentyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 65410648
N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
CID 65412412
N-[(3-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 82791518
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254
N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 79515623
N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 65409670
N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522643
N-[(3-ethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 65412612
N-[(4-bromo-2-fluorophenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 114906767
1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859834
N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 65410252
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine (CID 65409865) is N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine is CCCNC(c1c(F)cccc1F)C1CCC(CC)C1.
What is the InChIKey of N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine?
The InChIKey is RFEQYQQKEFGDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-3-10-20-17(13-9-8-12(4-2)11-13)16-14(18)6-5-7-15(16)19/h5-7,12-13,17,20H,3-4,8-11H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine?
N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 65409865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).