N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine

C13H18F2N2 — CID 63668937

IUPACN-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(CC1CC1)C(CN)c1cccc(F)c1F
InChIInChI=1S/C13H18F2N2/c1-17(8-9-5-6-9)12(7-16)10-3-2-4-11(14)13(10)15/h2-4,9,12H,5-8,16H2,1H3
InChIKeyRDHRBOHGJRNEEL-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.31
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine

N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine (PubChem CID 63668937) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine
PubChem CID63668937
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC NameN-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(CC1CC1)C(CN)c1cccc(F)c1F
InChIInChI=1S/C13H18F2N2/c1-17(8-9-5-6-9)12(7-16)10-3-2-4-11(14)13(10)15/h2-4,9,12H,5-8,16H2,1H3
InChIKeyRDHRBOHGJRNEEL-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 114487930
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 63667565
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 63669450
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 60984762
1-(4-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine
CID 54883966
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 60985647
1-(2,3-dimethylphenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63725960
1-(2,5-difluorophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63232937
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 54884298
1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63668595
N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine
CID 107397363
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine (CID 63668937) is N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine is CN(CC1CC1)C(CN)c1cccc(F)c1F.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is RDHRBOHGJRNEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17(8-9-5-6-9)12(7-16)10-3-2-4-11(14)13(10)15/h2-4,9,12H,5-8,16H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 240.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 63668937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).