(3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine

C26H24ClN3O3 — CID 59852802

IUPAC(3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine
SMILESCOc1ccc(COc2ccc(C(N)c3nccnc3Cl)cc2OCc2ccccc2)cc1
InChIInChI=1S/C26H24ClN3O3/c1-31-21-10-7-19(8-11-21)17-32-22-12-9-20(24(28)25-26(27)30-14-13-29-25)15-23(22)33-16-18-5-3-2-4-6-18/h2-15,24H,16-17,28H2,1H3
InChIKeyQSIHESCASPRGOE-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.34
Rot. Bonds9

About (3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine

(3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine (PubChem CID 59852802) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is (3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine.

Molecular Properties

Compound Name(3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine
PubChem CID59852802
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name(3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine
SMILESCOc1ccc(COc2ccc(C(N)c3nccnc3Cl)cc2OCc2ccccc2)cc1
InChIInChI=1S/C26H24ClN3O3/c1-31-21-10-7-19(8-11-21)17-32-22-12-9-20(24(28)25-26(27)30-14-13-29-25)15-23(22)33-16-18-5-3-2-4-6-18/h2-15,24H,16-17,28H2,1H3
InChIKeyQSIHESCASPRGOE-UHFFFAOYSA-N
XLogP5.34
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine with MolForge

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Related Compounds

(S)-(4-methoxy-3-phenylmethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171243977
1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 62911731
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171232632
(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171213015
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 66512512
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171234157
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine
CID 82550716
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine?
The IUPAC name of (3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine (CID 59852802) is (3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine.
What is the SMILES notation for (3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine?
The canonical SMILES for (3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine is COc1ccc(COc2ccc(C(N)c3nccnc3Cl)cc2OCc2ccccc2)cc1.
What is the InChIKey of (3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine?
The InChIKey is QSIHESCASPRGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-31-21-10-7-19(8-11-21)17-32-22-12-9-20(24(28)25-26(27)30-14-13-29-25)15-23(22)33-16-18-5-3-2-4-6-18/h2-15,24H,16-17,28H2,1H3.
What are the key properties of (3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine?
(3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine has a molecular weight of 461.95 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine is sourced from PubChem (CID 59852802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).