2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine

C17H22ClN3O — CID 131891193

IUPAC2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCC(C)c1ncc(CN(C)CCOc2cccc(Cl)c2)cn1
InChIInChI=1S/C17H22ClN3O/c1-13(2)17-19-10-14(11-20-17)12-21(3)7-8-22-16-6-4-5-15(18)9-16/h4-6,9-11,13H,7-8,12H2,1-3H3
InChIKeyDUYCXHIMFLYWJS-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.76
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine

2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 131891193) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine
PubChem CID131891193
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCC(C)c1ncc(CN(C)CCOc2cccc(Cl)c2)cn1
InChIInChI=1S/C17H22ClN3O/c1-13(2)17-19-10-14(11-20-17)12-21(3)7-8-22-16-6-4-5-15(18)9-16/h4-6,9-11,13H,7-8,12H2,1-3H3
InChIKeyDUYCXHIMFLYWJS-UHFFFAOYSA-N
XLogP3.76
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine
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3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
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N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine
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methyl 5-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]furan-2-carboxylate
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methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate
CID 62011529
2-(3-chlorophenoxy)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylethanamine
CID 112798638
2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838792
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454
1-chloro-3-(2-propan-2-yloxyethoxy)benzene
CID 60643608

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of 2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine (CID 131891193) is 2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine is CC(C)c1ncc(CN(C)CCOc2cccc(Cl)c2)cn1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is DUYCXHIMFLYWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-13(2)17-19-10-14(11-20-17)12-21(3)7-8-22-16-6-4-5-15(18)9-16/h4-6,9-11,13H,7-8,12H2,1-3H3.
What are the key properties of 2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine?
2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 319.84 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 131891193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).