1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine

C19H22N2 — CID 119125336

IUPAC1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCc2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H22N2/c1-13-9-14(2)11-17(10-13)15(3)21-12-16-5-4-6-19-18(16)7-8-20-19/h4-11,15,20-21H,12H2,1-3H3
InChIKeyQNYXOAVRNYGNOI-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.64
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine

1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine (PubChem CID 119125336) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
PubChem CID119125336
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCc2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H22N2/c1-13-9-14(2)11-17(10-13)15(3)21-12-16-5-4-6-19-18(16)7-8-20-19/h4-11,15,20-21H,12H2,1-3H3
InChIKeyQNYXOAVRNYGNOI-UHFFFAOYSA-N
XLogP4.64
TPSA27.82 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 ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-4-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 63001401
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023
(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81353840
N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 119110075
(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81373106
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950405
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 62999754

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine (CID 119125336) is 1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine is Cc1cc(C)cc(C(C)NCc2cccc3[nH]ccc23)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine?
The InChIKey is QNYXOAVRNYGNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-13-9-14(2)11-17(10-13)15(3)21-12-16-5-4-6-19-18(16)7-8-20-19/h4-11,15,20-21H,12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine?
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine is sourced from PubChem (CID 119125336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).