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

C12H19FN2O — CID 114525122

IUPACN-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(F)ccc1NCCCN(C)C
InChIInChI=1S/C12H19FN2O/c1-15(2)8-4-7-14-11-6-5-10(13)9-12(11)16-3/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeySJMGAZGLAYBCPA-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.20
Rot. Bonds6

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

N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 114525122) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID114525122
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(F)ccc1NCCCN(C)C
InChIInChI=1S/C12H19FN2O/c1-15(2)8-4-7-14-11-6-5-10(13)9-12(11)16-3/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeySJMGAZGLAYBCPA-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82084110
2-[3-(dimethylamino)propylamino]-5-fluorobenzonitrile
CID 63673438
4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 102975690
2-[3-(dimethylamino)propylamino]-5-fluorobenzenecarbothioamide
CID 55234302
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82093412
N-(2,4-difluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 23540138
4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 55590956
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
4-[2-(dimethylamino)ethylamino]-3-methoxybenzonitrile
CID 104848661
4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63774739
4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline
CID 54968374
N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525058

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine (CID 114525122) is N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine is COc1cc(F)ccc1NCCCN(C)C.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is SJMGAZGLAYBCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-15(2)8-4-7-14-11-6-5-10(13)9-12(11)16-3/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine?
N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114525122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).