N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine

C19H25NO2 — CID 43823384

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCOc1ccc(CCNC(C)c2ccccc2C)cc1OC
InChIInChI=1S/C19H25NO2/c1-14-7-5-6-8-17(14)15(2)20-12-11-16-9-10-18(21-3)19(13-16)22-4/h5-10,13,15,20H,11-12H2,1-4H3
InChIKeyOFCQSKAVOZWXAA-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.91
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine (PubChem CID 43823384) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
PubChem CID43823384
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCOc1ccc(CCNC(C)c2ccccc2C)cc1OC
InChIInChI=1S/C19H25NO2/c1-14-7-5-6-8-17(14)15(2)20-12-11-16-9-10-18(21-3)19(13-16)22-4/h5-10,13,15,20H,11-12H2,1-4H3
InChIKeyOFCQSKAVOZWXAA-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42924612
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315352
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119164539
2-methoxy-4-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 43181528
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79756686
1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
CID 112831587
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43824553
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
CID 62253339
(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467405
(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467402
1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine (CID 43823384) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine is COc1ccc(CCNC(C)c2ccccc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is OFCQSKAVOZWXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14-7-5-6-8-17(14)15(2)20-12-11-16-9-10-18(21-3)19(13-16)22-4/h5-10,13,15,20H,11-12H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 299.41 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 43823384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).