3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine

C20H27N — CID 79423679

IUPAC3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(C)c(C)c1)c1ccccc1C
InChIInChI=1S/C20H27N/c1-5-21-14-19(20-9-7-6-8-16(20)3)13-18-11-10-15(2)17(4)12-18/h6-12,19,21H,5,13-14H2,1-4H3
InChIKeyROXYWORIBIAQAT-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.55
Rot. Bonds6

About 3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine

3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine (PubChem CID 79423679) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
PubChem CID79423679
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(C)c(C)c1)c1ccccc1C
InChIInChI=1S/C20H27N/c1-5-21-14-19(20-9-7-6-8-16(20)3)13-18-11-10-15(2)17(4)12-18/h6-12,19,21H,5,13-14H2,1-4H3
InChIKeyROXYWORIBIAQAT-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421243
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424302
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691
N,4-diethyl-2-(2-methylphenyl)hexan-1-amine
CID 82929523
N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796
N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423700
N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine
CID 79421716
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038
N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423682
3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 103041125
2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436750

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine (CID 79423679) is 3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine is CCNCC(Cc1ccc(C)c(C)c1)c1ccccc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine?
The InChIKey is ROXYWORIBIAQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-21-14-19(20-9-7-6-8-16(20)3)13-18-11-10-15(2)17(4)12-18/h6-12,19,21H,5,13-14H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine?
3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 79423679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).