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

C11H17FN2 — CID 28582966

IUPACN-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(F)cc1NCCN(C)C
InChIInChI=1S/C11H17FN2/c1-9-4-5-10(12)8-11(9)13-6-7-14(2)3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyMTDBDZDCKIPROB-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.11
Rot. Bonds4

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

N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 28582966) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID28582966
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(F)cc1NCCN(C)C
InChIInChI=1S/C11H17FN2/c1-9-4-5-10(12)8-11(9)13-6-7-14(2)3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyMTDBDZDCKIPROB-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine (CID 28582966) is N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine is Cc1ccc(F)cc1NCCN(C)C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is MTDBDZDCKIPROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-9-4-5-10(12)8-11(9)13-6-7-14(2)3/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 196.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 28582966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).