1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

C14H23FN2O — CID 116905987

IUPAC1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc(C(CNC(C)C)N(C)C)cc1F
InChIInChI=1S/C14H23FN2O/c1-10(2)16-9-13(17(3)4)11-6-7-14(18-5)12(15)8-11/h6-8,10,13,16H,9H2,1-5H3
InChIKeyNHSDAVBTTJXVCE-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.43
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 116905987) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID116905987
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc(C(CNC(C)C)N(C)C)cc1F
InChIInChI=1S/C14H23FN2O/c1-10(2)16-9-13(17(3)4)11-6-7-14(18-5)12(15)8-11/h6-8,10,13,16H,9H2,1-5H3
InChIKeyNHSDAVBTTJXVCE-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905861
1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905981
4-(dimethylamino)-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116910493
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886
1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909206
1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905986
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415550
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116906021
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 62528167
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214750

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (CID 116905987) is 1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is COc1ccc(C(CNC(C)C)N(C)C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is NHSDAVBTTJXVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-10(2)16-9-13(17(3)4)11-6-7-14(18-5)12(15)8-11/h6-8,10,13,16H,9H2,1-5H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 2.43, 6 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)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116905987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).