2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine

C19H25N — CID 116544264

IUPAC2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(N)Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H25N/c1-4-6-16-7-5-8-18(12-16)19(20)13-17-10-9-14(2)15(3)11-17/h5,7-12,19H,4,6,13,20H2,1-3H3
InChIKeyOCOATKJIRIWZAU-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.50
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine

2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine (PubChem CID 116544264) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine
PubChem CID116544264
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(N)Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H25N/c1-4-6-16-7-5-8-18(12-16)19(20)13-17-10-9-14(2)15(3)11-17/h5,7-12,19H,4,6,13,20H2,1-3H3
InChIKeyOCOATKJIRIWZAU-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(3-propylphenyl)pentan-1-amine
CID 105050445
[(3,4-dimethylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105340471
2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 55086765
1-(3-propylphenyl)ethanamine
CID 116543909
2-(3,4-dimethylphenyl)-1-[4-(2-methoxyethyl)phenyl]ethanamine
CID 62553299
1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105187974
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine
CID 116545044
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538146
2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine
CID 116544446
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine (CID 116544264) is 2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine is CCCc1cccc(C(N)Cc2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine?
The InChIKey is OCOATKJIRIWZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-4-6-16-7-5-8-18(12-16)19(20)13-17-10-9-14(2)15(3)11-17/h5,7-12,19H,4,6,13,20H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine?
2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine has a molecular weight of 267.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine is sourced from PubChem (CID 116544264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).