N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine

C16H19FN2 — CID 62556023

IUPACN-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(C)CCNc2ccccc2F)c1
InChIInChI=1S/C16H19FN2/c1-13-6-5-7-14(12-13)19(2)11-10-18-16-9-4-3-8-15(16)17/h3-9,12,18H,10-11H2,1-2H3
InChIKeyVBNWXOWRCFVDNI-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.68
Rot. Bonds5

About N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine

N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 62556023) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
PubChem CID62556023
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(C)CCNc2ccccc2F)c1
InChIInChI=1S/C16H19FN2/c1-13-6-5-7-14(12-13)19(2)11-10-18-16-9-4-3-8-15(16)17/h3-9,12,18H,10-11H2,1-2H3
InChIKeyVBNWXOWRCFVDNI-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55089108
N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63501684
N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 62555206
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
N-(2-fluoro-5-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28877671
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 62558241
N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62553754
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine (CID 62556023) is N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(N(C)CCNc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is VBNWXOWRCFVDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-13-6-5-7-14(12-13)19(2)11-10-18-16-9-4-3-8-15(16)17/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62556023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).