N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine

C13H18F2N2 — CID 113328796

IUPACN-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
SMILESCN(C1CC1)C(CN)c1cccc(C(F)F)c1
InChIInChI=1S/C13H18F2N2/c1-17(11-5-6-11)12(8-16)9-3-2-4-10(7-9)13(14)15/h2-4,7,11-13H,5-6,8,16H2,1H3
InChIKeyKFGYALKRIZLRHD-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.72
Rot. Bonds5

About N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine

N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine (PubChem CID 113328796) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
PubChem CID113328796
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC NameN-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
SMILESCN(C1CC1)C(CN)c1cccc(C(F)F)c1
InChIInChI=1S/C13H18F2N2/c1-17(11-5-6-11)12(8-16)9-3-2-4-10(7-9)13(14)15/h2-4,7,11-13H,5-6,8,16H2,1H3
InChIKeyKFGYALKRIZLRHD-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524228
N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43610867
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 115526841
N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 61439510
N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 43264750
1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 115526828
N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 16783993
1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61438895
1-[3-(difluoromethyl)phenyl]-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 115526957
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610904

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine (CID 113328796) is N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine is CN(C1CC1)C(CN)c1cccc(C(F)F)c1.
What is the InChIKey of N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine?
The InChIKey is KFGYALKRIZLRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17(11-5-6-11)12(8-16)9-3-2-4-10(7-9)13(14)15/h2-4,7,11-13H,5-6,8,16H2,1H3.
What are the key properties of N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine?
N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine has a molecular weight of 240.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 113328796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).