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

C18H27F2N — CID 105027220

IUPACN-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)ccc(C)c1F)C1(CC)CCCC1
InChIInChI=1S/C18H27F2N/c1-4-12-21-17(18(5-2)10-6-7-11-18)15-14(19)9-8-13(3)16(15)20/h8-9,17,21H,4-7,10-12H2,1-3H3
InChIKeyVEYLTSCCBDLBKU-UHFFFAOYSA-N
MW295.42 g/mol
LogP5.28
Rot. Bonds6

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

N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine (PubChem CID 105027220) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine
PubChem CID105027220
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)ccc(C)c1F)C1(CC)CCCC1
InChIInChI=1S/C18H27F2N/c1-4-12-21-17(18(5-2)10-6-7-11-18)15-14(19)9-8-13(3)16(15)20/h8-9,17,21H,4-7,10-12H2,1-3H3
InChIKeyVEYLTSCCBDLBKU-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.42
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 115852769
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 107515341
N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 105011844
N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82797902
N-[(2,6-difluoro-3-methylphenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 115867535
N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 82822208
N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115816322
N-[(2,6-difluoro-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 82797631
N-[(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 82815308
1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 82822643
[(2,6-difluoro-3-methylphenyl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 105270270

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine (CID 105027220) is N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine is CCCNC(c1c(F)ccc(C)c1F)C1(CC)CCCC1.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine?
The InChIKey is VEYLTSCCBDLBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-4-12-21-17(18(5-2)10-6-7-11-18)15-14(19)9-8-13(3)16(15)20/h8-9,17,21H,4-7,10-12H2,1-3H3.
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine?
N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 105027220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).