1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine

C19H24N2 — CID 102661613

IUPAC1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCc1cccc(C)c1CN1CCc2cc(C(C)N)ccc21
InChIInChI=1S/C19H24N2/c1-13-5-4-6-14(2)18(13)12-21-10-9-17-11-16(15(3)20)7-8-19(17)21/h4-8,11,15H,9-10,12,20H2,1-3H3
InChIKeyUSHGWIFMSOUXBN-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.89
Rot. Bonds3

About 1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine

1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 102661613) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
PubChem CID102661613
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCc1cccc(C)c1CN1CCc2cc(C(C)N)ccc21
InChIInChI=1S/C19H24N2/c1-13-5-4-6-14(2)18(13)12-21-10-9-17-11-16(15(3)20)7-8-19(17)21/h4-8,11,15H,9-10,12,20H2,1-3H3
InChIKeyUSHGWIFMSOUXBN-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661581
1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 107040763
1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661459
1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661602
1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661948
1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661495
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102880183
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871
(2R)-1-(1-benzyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 125041450
2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide
CID 102661516
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of 1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine (CID 102661613) is 1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for 1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine is Cc1cccc(C)c1CN1CCc2cc(C(C)N)ccc21.
What is the InChIKey of 1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is USHGWIFMSOUXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-13-5-4-6-14(2)18(13)12-21-10-9-17-11-16(15(3)20)7-8-19(17)21/h4-8,11,15H,9-10,12,20H2,1-3H3.
What are the key properties of 1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 102661613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).