N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine

C16H19NO2 — CID 769797

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
SMILESCOc1cccc(CNCc2ccccc2)c1OC
InChIInChI=1S/C16H19NO2/c1-18-15-10-6-9-14(16(15)19-2)12-17-11-13-7-4-3-5-8-13/h3-10,17H,11-12H2,1-2H3
InChIKeyOBJCCOMMARAKOI-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.99
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine

N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 769797) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID769797
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
SMILESCOc1cccc(CNCc2ccccc2)c1OC
InChIInChI=1S/C16H19NO2/c1-18-15-10-6-9-14(16(15)19-2)12-17-11-13-7-4-3-5-8-13/h3-10,17H,11-12H2,1-2H3
InChIKeyOBJCCOMMARAKOI-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847985
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[(2,6-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 738592
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
CID 59317356
CID 59317356
1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine
CID 23882259

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine (CID 769797) is N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine is COc1cccc(CNCc2ccccc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is OBJCCOMMARAKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-18-15-10-6-9-14(16(15)19-2)12-17-11-13-7-4-3-5-8-13/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine?
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 257.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 769797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).