1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine

C16H21N3O — CID 62749077

IUPAC1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCC(C)Oc1ccccc1C(C)NCc1ccncn1
InChIInChI=1S/C16H21N3O/c1-12(2)20-16-7-5-4-6-15(16)13(3)18-10-14-8-9-17-11-19-14/h4-9,11-13,18H,10H2,1-3H3
InChIKeyYNSZEECNXRTBHQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.11
Rot. Bonds6

About 1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine

1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine (PubChem CID 62749077) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
PubChem CID62749077
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCC(C)Oc1ccccc1C(C)NCc1ccncn1
InChIInChI=1S/C16H21N3O/c1-12(2)20-16-7-5-4-6-15(16)13(3)18-10-14-8-9-17-11-19-14/h4-9,11-13,18H,10H2,1-3H3
InChIKeyYNSZEECNXRTBHQ-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926
1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759306
1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 61169849
1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43735008
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62748905
3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 132649493
(1S)-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 81399207
1-(2,5-dichlorophenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 114110724
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine
CID 62760223
1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708293

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine (CID 62749077) is 1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine is CC(C)Oc1ccccc1C(C)NCc1ccncn1.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The InChIKey is YNSZEECNXRTBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)20-16-7-5-4-6-15(16)13(3)18-10-14-8-9-17-11-19-14/h4-9,11-13,18H,10H2,1-3H3.
What are the key properties of 1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 62749077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).