N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine

C17H21NO2 — CID 43489150

IUPACN-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1c(OC)cccc1OC
InChIInChI=1S/C17H21NO2/c1-4-18-17(13-9-6-5-7-10-13)16-14(19-2)11-8-12-15(16)20-3/h5-12,17-18H,4H2,1-3H3
InChIKeyXQSSJPBRXVKVIO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.40
Rot. Bonds6

About N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine

N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine (PubChem CID 43489150) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
PubChem CID43489150
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1c(OC)cccc1OC
InChIInChI=1S/C17H21NO2/c1-4-18-17(13-9-6-5-7-10-13)16-14(19-2)11-8-12-15(16)20-3/h5-12,17-18H,4H2,1-3H3
InChIKeyXQSSJPBRXVKVIO-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dimethoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 116810303
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 116810300
N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 65432269
N-benzhydrylethanamine;ethane
CID 142974710
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 65433237
N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43491687
N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043570
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692
N-[(2,6-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105188698

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine (CID 43489150) is N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1c(OC)cccc1OC.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine?
The InChIKey is XQSSJPBRXVKVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-18-17(13-9-6-5-7-10-13)16-14(19-2)11-8-12-15(16)20-3/h5-12,17-18H,4H2,1-3H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine?
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 43489150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).