1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine

C11H15FN2 — CID 65377112

IUPAC1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1F)C1CC1
InChIInChI=1S/C11H15FN2/c12-9-3-1-2-4-10(9)14-11(7-13)8-5-6-8/h1-4,8,11,14H,5-7,13H2
InChIKeyQBMPVFIFDADXIU-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.97
Rot. Bonds4

About 1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine

1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine (PubChem CID 65377112) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine
PubChem CID65377112
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1F)C1CC1
InChIInChI=1S/C11H15FN2/c12-9-3-1-2-4-10(9)14-11(7-13)8-5-6-8/h1-4,8,11,14H,5-7,13H2
InChIKeyQBMPVFIFDADXIU-UHFFFAOYSA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164
2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide
CID 115309592
N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
CID 65385964
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol
CID 107133387
1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107303892
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide
CID 106738233
1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
CID 106738241
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
1-cyclopropyl-N-pyridin-2-ylethane-1,2-diamine
CID 65189143
3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119614252

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine (CID 65377112) is 1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine is NCC(Nc1ccccc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine?
The InChIKey is QBMPVFIFDADXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-9-3-1-2-4-10(9)14-11(7-13)8-5-6-8/h1-4,8,11,14H,5-7,13H2.
What are the key properties of 1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine?
1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine has a molecular weight of 194.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65377112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).