3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline

C18H24N2O — CID 105350828

IUPAC3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
SMILESCC(CN)c1ccc(COc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H24N2O/c1-14(12-19)16-9-7-15(8-10-16)13-21-18-6-4-5-17(11-18)20(2)3/h4-11,14H,12-13,19H2,1-3H3
InChIKeyQYCLMVFKDGRQPX-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.39
Rot. Bonds6

About 3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline

3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline (PubChem CID 105350828) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
PubChem CID105350828
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
SMILESCC(CN)c1ccc(COc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H24N2O/c1-14(12-19)16-9-7-15(8-10-16)13-21-18-6-4-5-17(11-18)20(2)3/h4-11,14H,12-13,19H2,1-3H3
InChIKeyQYCLMVFKDGRQPX-UHFFFAOYSA-N
XLogP3.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine
CID 105350731
3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350827
1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol
CID 61229094
3-[[4-(ethylaminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 62484357
2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350241
2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
CID 105350533
2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
CID 105350465
2-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]propan-1-amine
CID 105350223
4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline
CID 39205636
5-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-2-amine
CID 62187826
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 22688623

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline (CID 105350828) is 3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline is CC(CN)c1ccc(COc2cccc(N(C)C)c2)cc1.
What is the InChIKey of 3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline?
The InChIKey is QYCLMVFKDGRQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(12-19)16-9-7-15(8-10-16)13-21-18-6-4-5-17(11-18)20(2)3/h4-11,14H,12-13,19H2,1-3H3.
What are the key properties of 3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline?
3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline has a molecular weight of 284.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline is sourced from PubChem (CID 105350828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).