N-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine

C11H17FN2 — CID 3154218

IUPACN-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c1-14(2)8-7-13-9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3
InChIKeyDMHLMOUPTLMAJF-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.48
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 3154218) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID3154218
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c1-14(2)8-7-13-9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3
InChIKeyDMHLMOUPTLMAJF-UHFFFAOYSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Plerixafor
CID 65015
N-Methylbenzylamine
CID 7669
N-Benzylphenethylamine
CID 65055
1-Benzylpiperazine
CID 75994
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
Benzathine
CID 8793
Benzyl triethylammonium chloride
CID 66133
Isopropylbenzylamine
CID 66024
N-Ethylbenzylamine
CID 84352
1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, hydrochloride (1:2)
CID 2728761
N-Benzylethylenediamine
CID 77801
N-Propylbenzylamine
CID 74850

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 3154218) is N-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is DMHLMOUPTLMAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-14(2)8-7-13-9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 3154218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).