5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine

C16H21N3O — CID 62187827

IUPAC5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(COc2cccc(N(C)C)c2)cn1
InChIInChI=1S/C16H21N3O/c1-4-17-16-9-8-13(11-18-16)12-20-15-7-5-6-14(10-15)19(2)3/h5-11H,4,12H2,1-3H3,(H,17,18)
InChIKeyOJBRFEUYIKGPTJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.16
Rot. Bonds6

About 5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine

5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine (PubChem CID 62187827) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine
PubChem CID62187827
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(COc2cccc(N(C)C)c2)cn1
InChIInChI=1S/C16H21N3O/c1-4-17-16-9-8-13(11-18-16)12-20-15-7-5-6-14(10-15)19(2)3/h5-11H,4,12H2,1-3H3,(H,17,18)
InChIKeyOJBRFEUYIKGPTJ-UHFFFAOYSA-N
XLogP3.16
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-2-amine
CID 62187826
N-ethyl-5-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 62195699
[3-[[6-(ethylamino)-3-pyridinyl]methoxy]phenyl]methanol
CID 62189596
3-[[4-(ethylaminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 62484357
N-ethyl-5-[(4-ethylphenoxy)methyl]pyridin-2-amine
CID 55044783
5-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 107725734
N-ethyl-5-[(4-propylphenoxy)methyl]pyridin-2-amine
CID 62548057
N-ethyl-5-[(3-methoxyphenyl)methoxymethyl]pyridin-2-amine
CID 62195783
[4-[[6-(ethylamino)-3-pyridinyl]methoxy]phenyl]methanol
CID 55044751
5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 83235069
3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350827
N-ethyl-5-[(3-fluoro-N-methylanilino)methyl]pyridin-2-amine
CID 62207366

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine (CID 62187827) is 5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine is CCNc1ccc(COc2cccc(N(C)C)c2)cn1.
What is the InChIKey of 5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine?
The InChIKey is OJBRFEUYIKGPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-17-16-9-8-13(11-18-16)12-20-15-7-5-6-14(10-15)19(2)3/h5-11H,4,12H2,1-3H3,(H,17,18).
What are the key properties of 5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine?
5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62187827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).