1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine

C20H20FN3 — CID 143693932

IUPAC1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine
SMILESNCc1cccc(CNc2ccccc2Nc2ccccc2F)c1
InChIInChI=1S/C20H20FN3/c21-17-8-1-2-9-18(17)24-20-11-4-3-10-19(20)23-14-16-7-5-6-15(12-16)13-22/h1-12,23-24H,13-14,22H2
InChIKeyWLCBZZBVRZGVPT-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.64
Rot. Bonds6

About 1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine

1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine (PubChem CID 143693932) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine
PubChem CID143693932
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine
SMILESNCc1cccc(CNc2ccccc2Nc2ccccc2F)c1
InChIInChI=1S/C20H20FN3/c21-17-8-1-2-9-18(17)24-20-11-4-3-10-19(20)23-14-16-7-5-6-15(12-16)13-22/h1-12,23-24H,13-14,22H2
InChIKeyWLCBZZBVRZGVPT-UHFFFAOYSA-N
XLogP4.64
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 107303372
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline
CID 105488137
N-benzyl-2,3-difluoroaniline
CID 21321341
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline
CID 115213122
4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline
CID 82297676
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 28970511
N-[[5-(aminomethyl)-1-methylpyrrol-3-yl]methyl]-2-fluoroaniline
CID 105492835
2-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360348
N-[[3-(aminomethyl)phenyl]methyl]naphthalen-2-amine
CID 115212943
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 43589478

Frequently Asked Questions

What is the IUPAC name of 1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine?
The IUPAC name of 1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine (CID 143693932) is 1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine is NCc1cccc(CNc2ccccc2Nc2ccccc2F)c1.
What is the InChIKey of 1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine?
The InChIKey is WLCBZZBVRZGVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c21-17-8-1-2-9-18(17)24-20-11-4-3-10-19(20)23-14-16-7-5-6-15(12-16)13-22/h1-12,23-24H,13-14,22H2.
What are the key properties of 1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine?
1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine has a molecular weight of 321.40 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 143693932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).