2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine

C14H23FN2O — CID 113453505

IUPAC2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
SMILESCCN(Cc1cccc(OC)c1F)C(C)(C)CN
InChIInChI=1S/C14H23FN2O/c1-5-17(14(2,3)10-16)9-11-7-6-8-12(18-4)13(11)15/h6-8H,5,9-10,16H2,1-4H3
InChIKeyVXSOAECLMVXOKY-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.39
Rot. Bonds6

About 2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine

2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine (PubChem CID 113453505) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
PubChem CID113453505
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
SMILESCCN(Cc1cccc(OC)c1F)C(C)(C)CN
InChIInChI=1S/C14H23FN2O/c1-5-17(14(2,3)10-16)9-11-7-6-8-12(18-4)13(11)15/h6-8H,5,9-10,16H2,1-4H3
InChIKeyVXSOAECLMVXOKY-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 104791386
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
CID 113453864
2-N',2-N'-diethyl-1-(2-methoxyphenyl)propane-2,2-diamine
CID 84752665
2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 113453837
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 104793318
1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine
CID 104793302
1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113453542
1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 104791379
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol
CID 104793017
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
CID 107113327

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine (CID 113453505) is 2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine is CCN(Cc1cccc(OC)c1F)C(C)(C)CN.
What is the InChIKey of 2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine?
The InChIKey is VXSOAECLMVXOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-5-17(14(2,3)10-16)9-11-7-6-8-12(18-4)13(11)15/h6-8H,5,9-10,16H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine?
2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 113453505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).