3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine

C19H22N2 — CID 67663685

IUPAC3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine
SMILESCc1cc(C)cc(-c2[nH]c3ccccc3c2CCCN)c1
InChIInChI=1S/C19H22N2/c1-13-10-14(2)12-15(11-13)19-17(7-5-9-20)16-6-3-4-8-18(16)21-19/h3-4,6,8,10-12,21H,5,7,9,20H2,1-2H3
InChIKeyQSTBMYOLEADXFQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.34
Rot. Bonds4

About 3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine

3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine (PubChem CID 67663685) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine
PubChem CID67663685
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine
SMILESCc1cc(C)cc(-c2[nH]c3ccccc3c2CCCN)c1
InChIInChI=1S/C19H22N2/c1-13-10-14(2)12-15(11-13)19-17(7-5-9-20)16-6-3-4-8-18(16)21-19/h3-4,6,8,10-12,21H,5,7,9,20H2,1-2H3
InChIKeyQSTBMYOLEADXFQ-UHFFFAOYSA-N
XLogP4.34
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3946658
4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline
CID 3484514
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]butan-1-amine
CID 3575438
4-[2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]butan-1-amine
CID 5008569
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
CID 84630189
3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine
CID 170868095
4-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3565408
3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid
CID 21249903
4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3998178
4-[2-(3-iodophenyl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 3329272
4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5035921

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine?
The IUPAC name of 3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine (CID 67663685) is 3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine?
The canonical SMILES for 3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine is Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCCN)c1.
What is the InChIKey of 3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine?
The InChIKey is QSTBMYOLEADXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-13-10-14(2)12-15(11-13)19-17(7-5-9-20)16-6-3-4-8-18(16)21-19/h3-4,6,8,10-12,21H,5,7,9,20H2,1-2H3.
What are the key properties of 3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine?
3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine is sourced from PubChem (CID 67663685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).