1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine

C14H23FN2O — CID 112518983

IUPAC1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine
SMILESCC(C)Oc1ccc(C(CCN)N(C)C)cc1F
InChIInChI=1S/C14H23FN2O/c1-10(2)18-14-6-5-11(9-12(14)15)13(7-8-16)17(3)4/h5-6,9-10,13H,7-8,16H2,1-4H3
InChIKeyDRNKXYXAEYVFQU-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.56
Rot. Bonds6

About 1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine

1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine (PubChem CID 112518983) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine
PubChem CID112518983
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine
SMILESCC(C)Oc1ccc(C(CCN)N(C)C)cc1F
InChIInChI=1S/C14H23FN2O/c1-10(2)18-14-6-5-11(9-12(14)15)13(7-8-16)17(3)4/h5-6,9-10,13H,7-8,16H2,1-4H3
InChIKeyDRNKXYXAEYVFQU-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine
CID 112518379
1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905987
4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol
CID 116907790
5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one
CID 116910641
(1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine
CID 29037552
4-(dimethylamino)-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116910493
N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905861
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949556
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931
methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate
CID 113389444
1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
CID 116905586
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine (CID 112518983) is 1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine is CC(C)Oc1ccc(C(CCN)N(C)C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine?
The InChIKey is DRNKXYXAEYVFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-10(2)18-14-6-5-11(9-12(14)15)13(7-8-16)17(3)4/h5-6,9-10,13H,7-8,16H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine?
1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine has a molecular weight of 254.35 g/mol, XLogP of 2.56, 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-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112518983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).