N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine

C16H18F2N2 — CID 106528482

IUPACN-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C16H18F2N2/c1-20(11-12-5-3-2-4-6-12)16(10-19)13-7-14(17)9-15(18)8-13/h2-9,16H,10-11,19H2,1H3
InChIKeyVKJJRPZRFJTHPJ-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.10
Rot. Bonds5

About N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine

N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine (PubChem CID 106528482) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
PubChem CID106528482
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC NameN-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C16H18F2N2/c1-20(11-12-5-3-2-4-6-12)16(10-19)13-7-14(17)9-15(18)8-13/h2-9,16H,10-11,19H2,1H3
InChIKeyVKJJRPZRFJTHPJ-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(3-fluoro-4-methylphenyl)-N-methylethane-1,2-diamine
CID 63645213
1-(3-chloro-5-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 114453263
N-[(3-bromophenyl)methyl]-1-(3-fluorophenyl)-N-methylethane-1,2-diamine
CID 61415282
1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65484279
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420412
1-(3,4-difluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43211937
N-benzyl-1-(4-bromo-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 43364608
1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61422331
N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 61420129
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43211967
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106528761
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 106528505

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine (CID 106528482) is N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine is CN(Cc1ccccc1)C(CN)c1cc(F)cc(F)c1.
What is the InChIKey of N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is VKJJRPZRFJTHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-20(11-12-5-3-2-4-6-12)16(10-19)13-7-14(17)9-15(18)8-13/h2-9,16H,10-11,19H2,1H3.
What are the key properties of N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine?
N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 276.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 106528482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).