N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine

C14H21FN2 — CID 114053998

IUPACN-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine
SMILESCCN(C1CC1)C(CN)c1cc(C)ccc1F
InChIInChI=1S/C14H21FN2/c1-3-17(11-5-6-11)14(9-16)12-8-10(2)4-7-13(12)15/h4,7-8,11,14H,3,5-6,9,16H2,1-2H3
InChIKeyOZTORGBNOLTCJA-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.62
Rot. Bonds5

About N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine

N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine (PubChem CID 114053998) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine
PubChem CID114053998
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine
SMILESCCN(C1CC1)C(CN)c1cc(C)ccc1F
InChIInChI=1S/C14H21FN2/c1-3-17(11-5-6-11)14(9-16)12-8-10(2)4-7-13(12)15/h4,7-8,11,14H,3,5-6,9,16H2,1-2H3
InChIKeyOZTORGBNOLTCJA-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(2,5-dimethylphenyl)-N-ethylethane-1,2-diamine
CID 54977845
1-(5-bromo-2-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 43540902
1-(3-chloro-4-fluorophenyl)-N-cyclopropyl-N-ethylethane-1,2-diamine
CID 81144895
1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 81144764
1-(3-bromo-4-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 43180412
N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 113328405
N-cyclopropyl-N-ethyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 43264029
N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 43270167
N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 43264069
N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43180409
N-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43263961
N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 43264016

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine (CID 114053998) is N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine is CCN(C1CC1)C(CN)c1cc(C)ccc1F.
What is the InChIKey of N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine?
The InChIKey is OZTORGBNOLTCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-17(11-5-6-11)14(9-16)12-8-10(2)4-7-13(12)15/h4,7-8,11,14H,3,5-6,9,16H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine?
N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 114053998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).