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

C14H23FN2O — CID 113453542

IUPAC1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOc1cccc(CNCC(C)(C)N(C)C)c1F
InChIInChI=1S/C14H23FN2O/c1-14(2,17(3)4)10-16-9-11-7-6-8-12(18-5)13(11)15/h6-8,16H,9-10H2,1-5H3
InChIKeyIAVKYEOEJJYDAN-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.26
Rot. Bonds6

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

1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 113453542) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID113453542
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOc1cccc(CNCC(C)(C)N(C)C)c1F
InChIInChI=1S/C14H23FN2O/c1-14(2,17(3)4)10-16-9-11-7-6-8-12(18-5)13(11)15/h6-8,16H,9-10H2,1-5H3
InChIKeyIAVKYEOEJJYDAN-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
1-N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43406346
2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106291983
1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43221626
N-[(2-fluoro-3-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 113453546
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604
3-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117103
N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine
CID 104791408
N-[(2-fluoro-3-methoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 104791785
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 113453542) is 1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is COc1cccc(CNCC(C)(C)N(C)C)c1F.
What is the InChIKey of 1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is IAVKYEOEJJYDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-14(2,17(3)4)10-16-9-11-7-6-8-12(18-5)13(11)15/h6-8,16H,9-10H2,1-5H3.
What are the key properties of 1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 113453542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).