1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

C16H16ClN3OS — CID 17213569

IUPAC1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1cnc(Oc2cccc(CNCc3cccs3)c2)nc1
InChIInChI=1S/C16H15N3OS.ClH/c1-4-13(11-17-12-15-6-2-9-21-15)10-14(5-1)20-16-18-7-3-8-19-16;/h1-10,17H,11-12H2;1H
InChIKeyFDHSRJGVVKLFNA-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.04
Rot. Bonds6

About 1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (PubChem CID 17213569) has the molecular formula C16H16ClN3OS and a molecular weight of 333.84 g/mol. Its IUPAC name is 1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
PubChem CID17213569
Molecular FormulaC16H16ClN3OS
Molecular Weight333.84 g/mol
Exact Mass333.07
IUPAC Name1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1cnc(Oc2cccc(CNCc3cccs3)c2)nc1
InChIInChI=1S/C16H15N3OS.ClH/c1-4-13(11-17-12-15-6-2-9-21-15)10-14(5-1)20-16-18-7-3-8-19-16;/h1-10,17H,11-12H2;1H
InChIKeyFDHSRJGVVKLFNA-UHFFFAOYSA-N
XLogP4.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798947
1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17206254
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine
CID 17213568
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 119107424
1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60960731
N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63776029
2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213608

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (CID 17213569) is 1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is Cl.c1cnc(Oc2cccc(CNCc3cccs3)c2)nc1.
What is the InChIKey of 1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is FDHSRJGVVKLFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS.ClH/c1-4-13(11-17-12-15-6-2-9-21-15)10-14(5-1)20-16-18-7-3-8-19-16;/h1-10,17H,11-12H2;1H.
What are the key properties of 1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 333.84 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 17213569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).