1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine

C15H17NO — CID 165111805

IUPAC1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine
SMILES[2H]c1c([2H])c([2H])c(CNCc2cccc(OC)c2)c([2H])c1[2H]
InChIInChI=1S/C15H17NO/c1-17-15-9-5-8-14(10-15)12-16-11-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3/i2D,3D,4D,6D,7D
InChIKeyXCAYUNJSPOEITF-QRKCWBMQSA-N
MW232.34 g/mol
LogP2.98
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine

1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine (PubChem CID 165111805) has the molecular formula C15H17NO and a molecular weight of 232.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine
PubChem CID165111805
Molecular FormulaC15H17NO
Molecular Weight232.34 g/mol
Exact Mass232.16
IUPAC Name1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine
SMILES[2H]c1c([2H])c([2H])c(CNCc2cccc(OC)c2)c([2H])c1[2H]
InChIInChI=1S/C15H17NO/c1-17-15-9-5-8-14(10-15)12-16-11-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3/i2D,3D,4D,6D,7D
InChIKeyXCAYUNJSPOEITF-QRKCWBMQSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
CID 115260862
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
2-[3-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]acetonitrile
CID 60874118
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
CID 17221716
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
3-bromo-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 114293504
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine (CID 165111805) is 1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine is [2H]c1c([2H])c([2H])c(CNCc2cccc(OC)c2)c([2H])c1[2H].
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine?
The InChIKey is XCAYUNJSPOEITF-QRKCWBMQSA-N. The full InChI is InChI=1S/C15H17NO/c1-17-15-9-5-8-14(10-15)12-16-11-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3/i2D,3D,4D,6D,7D.
What are the key properties of 1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine?
1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine has a molecular weight of 232.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine is sourced from PubChem (CID 165111805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).