N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine

C21H21NO2 — CID 57119398

IUPACN-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine
SMILESCOc1cc(CNCc2ccccc2)ccc1Oc1ccccc1
InChIInChI=1S/C21H21NO2/c1-23-21-14-18(16-22-15-17-8-4-2-5-9-17)12-13-20(21)24-19-10-6-3-7-11-19/h2-14,22H,15-16H2,1H3
InChIKeyBNLYSVZVXFVYSX-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.78
Rot. Bonds7

About N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine

N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 57119398) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID57119398
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine
SMILESCOc1cc(CNCc2ccccc2)ccc1Oc1ccccc1
InChIInChI=1S/C21H21NO2/c1-23-21-14-18(16-22-15-17-8-4-2-5-9-17)12-13-20(21)24-19-10-6-3-7-11-19/h2-14,22H,15-16H2,1H3
InChIKeyBNLYSVZVXFVYSX-UHFFFAOYSA-N
XLogP4.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54038698
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847984
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
CID 11303039
CID 11303039
1-benzyl-3-[(3,4-dimethoxyphenyl)methyl]thiourea
CID 8669526
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 52593579
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine (CID 57119398) is N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine is COc1cc(CNCc2ccccc2)ccc1Oc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is BNLYSVZVXFVYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-23-21-14-18(16-22-15-17-8-4-2-5-9-17)12-13-20(21)24-19-10-6-3-7-11-19/h2-14,22H,15-16H2,1H3.
What are the key properties of N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine?
N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 319.40 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 57119398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).