N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine

C28H27NO2 — CID 19644572

IUPACN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine
SMILESCOc1cccc(CNC(c2ccccc2)c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C28H27NO2/c1-30-26-19-11-18-25(28(26)31-21-22-12-5-2-6-13-22)20-29-27(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-19,27,29H,20-21H2,1H3
InChIKeyBRCVQAGFPVSLOO-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.15
Rot. Bonds9

About N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine

N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine (PubChem CID 19644572) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine
PubChem CID19644572
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC NameN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine
SMILESCOc1cccc(CNC(c2ccccc2)c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C28H27NO2/c1-30-26-19-11-18-25(28(26)31-21-22-12-5-2-6-13-22)20-29-27(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-19,27,29H,20-21H2,1H3
InChIKeyBRCVQAGFPVSLOO-UHFFFAOYSA-N
XLogP6.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol
CID 4716006
(1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine
CID 51988789
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291272
N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17289767
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074149
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6459446
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156408
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211113

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine?
The IUPAC name of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine (CID 19644572) is N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine.
What is the SMILES notation for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine?
The canonical SMILES for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine is COc1cccc(CNC(c2ccccc2)c2ccccc2)c1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine?
The InChIKey is BRCVQAGFPVSLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-30-26-19-11-18-25(28(26)31-21-22-12-5-2-6-13-22)20-29-27(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-19,27,29H,20-21H2,1H3.
What are the key properties of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine?
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine has a molecular weight of 409.53 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine is sourced from PubChem (CID 19644572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).