1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine

C19H25NO — CID 43099095

IUPAC1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(CCNC(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-14-5-8-18(13-15(14)2)16(3)20-12-11-17-6-9-19(21-4)10-7-17/h5-10,13,16,20H,11-12H2,1-4H3
InChIKeyNWLOZEDMUKFZAR-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.21
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine

1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine (PubChem CID 43099095) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
PubChem CID43099095
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(CCNC(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-14-5-8-18(13-15(14)2)16(3)20-12-11-17-6-9-19(21-4)10-7-17/h5-10,13,16,20H,11-12H2,1-4H3
InChIKeyNWLOZEDMUKFZAR-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643562
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 112815867
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612221
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 106816973
1-(3,4-dimethylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682865
(1R)-N-[(3-bromo-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 105401602
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine (CID 43099095) is 1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine is COc1ccc(CCNC(C)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
The InChIKey is NWLOZEDMUKFZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-5-8-18(13-15(14)2)16(3)20-12-11-17-6-9-19(21-4)10-7-17/h5-10,13,16,20H,11-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 43099095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).