1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine

C16H18F2N2 — CID 43211967

IUPAC1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1cccc(F)c1)C(CN)c1ccccc1F
InChIInChI=1S/C16H18F2N2/c1-20(11-12-5-4-6-13(17)9-12)16(10-19)14-7-2-3-8-15(14)18/h2-9,16H,10-11,19H2,1H3
InChIKeyXTIRCSDCVUGUBQ-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.10
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine

1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine (PubChem CID 43211967) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
PubChem CID43211967
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1cccc(F)c1)C(CN)c1ccccc1F
InChIInChI=1S/C16H18F2N2/c1-20(11-12-5-4-6-13(17)9-12)16(10-19)14-7-2-3-8-15(14)18/h2-9,16H,10-11,19H2,1H3
InChIKeyXTIRCSDCVUGUBQ-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

1-(2,6-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43110178
1-(3,4-difluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43211937
N-[(3-bromophenyl)methyl]-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 61415951
1-(1,3-dimethylpyrazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 83088744
N-benzyl-1-(4-bromo-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 43364608
3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine
CID 79414838
N-[(3-bromophenyl)methyl]-1-(3-fluorophenyl)-N-methylethane-1,2-diamine
CID 61415282
N-[(3-bromophenyl)methyl]-1-(4-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842951
1-(4-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61413518
N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 106528482
2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225472
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine (CID 43211967) is 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine is CN(Cc1cccc(F)c1)C(CN)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is XTIRCSDCVUGUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-20(11-12-5-4-6-13(17)9-12)16(10-19)14-7-2-3-8-15(14)18/h2-9,16H,10-11,19H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-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 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 43211967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).