2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine

C14H20F2N2 — CID 103648407

IUPAC2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCC(CNCc1ccc(F)c(F)c1)N(C)C1CC1
InChIInChI=1S/C14H20F2N2/c1-10(18(2)12-4-5-12)8-17-9-11-3-6-13(15)14(16)7-11/h3,6-7,10,12,17H,4-5,8-9H2,1-2H3
InChIKeyIATQQDKGDQRKNE-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.54
Rot. Bonds6

About 2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine

2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine (PubChem CID 103648407) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
PubChem CID103648407
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCC(CNCc1ccc(F)c(F)c1)N(C)C1CC1
InChIInChI=1S/C14H20F2N2/c1-10(18(2)12-4-5-12)8-17-9-11-3-6-13(15)14(16)7-11/h3,6-7,10,12,17H,4-5,8-9H2,1-2H3
InChIKeyIATQQDKGDQRKNE-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol
CID 103648398
5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile
CID 103699184
1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 63646570
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 107455700
4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
CID 107685688
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 113222770
4-[3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenoxy]butanenitrile
CID 119123544
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine
CID 103781637
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine (CID 103648407) is 2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine is CC(CNCc1ccc(F)c(F)c1)N(C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is IATQQDKGDQRKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10(18(2)12-4-5-12)8-17-9-11-3-6-13(15)14(16)7-11/h3,6-7,10,12,17H,4-5,8-9H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine?
2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 254.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103648407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).