1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine

C14H20F2N2 — CID 114124647

IUPAC1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine
SMILESCCC1(CNc2c(F)cc(N)cc2F)CCCC1
InChIInChI=1S/C14H20F2N2/c1-2-14(5-3-4-6-14)9-18-13-11(15)7-10(17)8-12(13)16/h7-8,18H,2-6,9,17H2,1H3
InChIKeyBWZIGNRRFKRYEK-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.93
Rot. Bonds4

About 1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine

1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine (PubChem CID 114124647) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine
PubChem CID114124647
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine
SMILESCCC1(CNc2c(F)cc(N)cc2F)CCCC1
InChIInChI=1S/C14H20F2N2/c1-2-14(5-3-4-6-14)9-18-13-11(15)7-10(17)8-12(13)16/h7-8,18H,2-6,9,17H2,1H3
InChIKeyBWZIGNRRFKRYEK-UHFFFAOYSA-N
XLogP3.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol
CID 114755776
[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol
CID 115454129
2,6-difluoro-1-N-[(2-methylthiolan-2-yl)methyl]benzene-1,4-diamine
CID 80736747
2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine
CID 114124625
N-[(1-ethylcyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 103764979
4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid
CID 114126371
2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 114126574
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124598
N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine
CID 103826198
4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline
CID 114125839
2-amino-5-[(1-ethylcyclopropyl)methylamino]-4-fluorobenzoic acid
CID 114101743
2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine
CID 114107388

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine?
The IUPAC name of 1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine (CID 114124647) is 1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine is CCC1(CNc2c(F)cc(N)cc2F)CCCC1.
What is the InChIKey of 1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine?
The InChIKey is BWZIGNRRFKRYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-2-14(5-3-4-6-14)9-18-13-11(15)7-10(17)8-12(13)16/h7-8,18H,2-6,9,17H2,1H3.
What are the key properties of 1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine?
1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine has a molecular weight of 254.32 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine is sourced from PubChem (CID 114124647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).