N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

C19H25NO3 — CID 783447

IUPACN-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C19H25NO3/c1-5-20(13-15-9-7-6-8-10-15)14-16-11-12-17(21-2)19(23-4)18(16)22-3/h6-12H,5,13-14H2,1-4H3
InChIKeyNCPQXAOTCNIGGM-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.73
Rot. Bonds8

About N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (PubChem CID 783447) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
PubChem CID783447
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C19H25NO3/c1-5-20(13-15-9-7-6-8-10-15)14-16-11-12-17(21-2)19(23-4)18(16)22-3/h6-12H,5,13-14H2,1-4H3
InChIKeyNCPQXAOTCNIGGM-UHFFFAOYSA-N
XLogP3.73
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 163327128
N-benzyl-N-[(4-methoxy-2,3-dimethylphenyl)methyl]butan-1-amine
CID 2244814
N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 783617
N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338472
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
N-benzyl-N-[(2-bromophenyl)methyl]ethanamine
CID 55027071
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006
N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine
CID 2244864
(2S)-1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93164577

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (CID 783447) is N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is CCN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is NCPQXAOTCNIGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-5-20(13-15-9-7-6-8-10-15)14-16-11-12-17(21-2)19(23-4)18(16)22-3/h6-12H,5,13-14H2,1-4H3.
What are the key properties of N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 315.41 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 783447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).