N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine

C16H19FN2 — CID 18070991

IUPACN'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1)CC(N)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2/c1-19(11-13-5-3-2-4-6-13)12-16(18)14-7-9-15(17)10-8-14/h2-10,16H,11-12,18H2,1H3
InChIKeyOCKXXRDDTFAGKE-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.96
Rot. Bonds5

About N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine

N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 18070991) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID18070991
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1)CC(N)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2/c1-19(11-13-5-3-2-4-6-13)12-16(18)14-7-9-15(17)10-8-14/h2-10,16H,11-12,18H2,1H3
InChIKeyOCKXXRDDTFAGKE-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43420040
1-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519984
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 16792617
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563325
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115
N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 61420149
2-[benzyl(methyl)amino]-2-(4-fluorophenyl)ethanethioamide
CID 84749344
1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487404
N'-(furan-2-ylmethyl)-N'-methyl-1-phenylethane-1,2-diamine
CID 43527008

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine (CID 18070991) is N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine is CN(Cc1ccccc1)CC(N)c1ccc(F)cc1.
What is the InChIKey of N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is OCKXXRDDTFAGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-19(11-13-5-3-2-4-6-13)12-16(18)14-7-9-15(17)10-8-14/h2-10,16H,11-12,18H2,1H3.
What are the key properties of N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 18070991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).