[2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine

C17H21NO2 — CID 61033908

IUPAC[2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine
SMILESCCc1ccc(-c2cc(OC)c(OC)cc2CN)cc1
InChIInChI=1S/C17H21NO2/c1-4-12-5-7-13(8-6-12)15-10-17(20-3)16(19-2)9-14(15)11-18/h5-10H,4,11,18H2,1-3H3
InChIKeyKIOYWUCFAZPWGN-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.39
Rot. Bonds5

About [2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine

[2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine (PubChem CID 61033908) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine
PubChem CID61033908
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine
SMILESCCc1ccc(-c2cc(OC)c(OC)cc2CN)cc1
InChIInChI=1S/C17H21NO2/c1-4-12-5-7-13(8-6-12)15-10-17(20-3)16(19-2)9-14(15)11-18/h5-10H,4,11,18H2,1-3H3
InChIKeyKIOYWUCFAZPWGN-UHFFFAOYSA-N
XLogP3.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 54911492
(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
CID 61075245
[4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61241607
[2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62800398
[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 54980067
[4,5-dimethoxy-2-(3-nitrophenyl)phenyl]methanamine
CID 61385627
[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105350062
[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62548525
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
CID 106785439
[4-(4-ethylphenyl)-3-methylphenyl]methanamine
CID 66481033
[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663676
1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59435901

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine?
The IUPAC name of [2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine (CID 61033908) is [2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine.
What is the SMILES notation for [2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine?
The canonical SMILES for [2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine is CCc1ccc(-c2cc(OC)c(OC)cc2CN)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine?
The InChIKey is KIOYWUCFAZPWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-12-5-7-13(8-6-12)15-10-17(20-3)16(19-2)9-14(15)11-18/h5-10H,4,11,18H2,1-3H3.
What are the key properties of [2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine?
[2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine is sourced from PubChem (CID 61033908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).