1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine

C19H25NO3 — CID 119137895

IUPAC1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCCc1ccccc1CNCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H25NO3/c1-5-15-8-6-7-9-16(15)13-20-12-14-10-17(21-2)19(23-4)18(11-14)22-3/h6-11,20H,5,12-13H2,1-4H3
InChIKeyJTAMJZPNKGYBBX-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.56
Rot. Bonds8

About 1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine

1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine (PubChem CID 119137895) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
PubChem CID119137895
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCCc1ccccc1CNCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H25NO3/c1-5-15-8-6-7-9-16(15)13-20-12-14-10-17(21-2)19(23-4)18(11-14)22-3/h6-11,20H,5,12-13H2,1-4H3
InChIKeyJTAMJZPNKGYBBX-UHFFFAOYSA-N
XLogP3.56
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(2-bromophenyl)methanamine
CID 61402039
1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 775222
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 871572
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 119128954
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
[2-[[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 110906112
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60657941
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine (CID 119137895) is 1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine is CCc1ccccc1CNCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine?
The InChIKey is JTAMJZPNKGYBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-5-15-8-6-7-9-16(15)13-20-12-14-10-17(21-2)19(23-4)18(11-14)22-3/h6-11,20H,5,12-13H2,1-4H3.
What are the key properties of 1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine?
1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine has a molecular weight of 315.41 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 119137895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).