1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C13H21FN2O — CID 79053803

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOc1ccc(C(N)C(C)(C)N(C)C)cc1F
InChIInChI=1S/C13H21FN2O/c1-13(2,16(3)4)12(15)9-6-7-11(17-5)10(14)8-9/h6-8,12H,15H2,1-5H3
InChIKeyMOVDPGFFSZFAFU-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.17
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 79053803) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID79053803
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOc1ccc(C(N)C(C)(C)N(C)C)cc1F
InChIInChI=1S/C13H21FN2O/c1-13(2,16(3)4)12(15)9-6-7-11(17-5)10(14)8-9/h6-8,12H,15H2,1-5H3
InChIKeyMOVDPGFFSZFAFU-UHFFFAOYSA-N
XLogP2.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 79052974
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 79046198
1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine
CID 43474238
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 104995849

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 79053803) is 1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is COc1ccc(C(N)C(C)(C)N(C)C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is MOVDPGFFSZFAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-13(2,16(3)4)12(15)9-6-7-11(17-5)10(14)8-9/h6-8,12H,15H2,1-5H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 240.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 79053803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).