N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine

C9H13FN2 — CID 79692011

IUPACN'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(F)cc(NCCN)c1
InChIInChI=1S/C9H13FN2/c1-7-4-8(10)6-9(5-7)12-3-2-11/h4-6,12H,2-3,11H2,1H3
InChIKeyWAYSVNSVSGAFSO-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.50
Rot. Bonds3

About N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine

N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine (PubChem CID 79692011) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
PubChem CID79692011
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC NameN'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(F)cc(NCCN)c1
InChIInChI=1S/C9H13FN2/c1-7-4-8(10)6-9(5-7)12-3-2-11/h4-6,12H,2-3,11H2,1H3
InChIKeyWAYSVNSVSGAFSO-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3,5-difluorophenyl)ethane-1,2-diamine
CID 11116511
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525201
3-fluoro-5-methyl-N-(4,4,4-trifluorobutyl)aniline
CID 115513789
N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline
CID 79054586
N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 82504640
3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82888949
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053885
1-(3-fluoro-5-methylanilino)propan-2-one
CID 143897845
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
4-(3-fluoro-5-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 79049505
3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline
CID 106723957

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine (CID 79692011) is N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine is Cc1cc(F)cc(NCCN)c1.
What is the InChIKey of N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine?
The InChIKey is WAYSVNSVSGAFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-7-4-8(10)6-9(5-7)12-3-2-11/h4-6,12H,2-3,11H2,1H3.
What are the key properties of N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine?
N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine has a molecular weight of 168.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 79692011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).