N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine

C17H20N2S — CID 62999754

IUPACN-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1cccc2[nH]ccc12)c1cccs1
InChIInChI=1S/C17H20N2S/c1-12(2)17(16-7-4-10-20-16)19-11-13-5-3-6-15-14(13)8-9-18-15/h3-10,12,17-19H,11H2,1-2H3
InChIKeyDGQHGQHZRZNJAK-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.72
Rot. Bonds5

About N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine

N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 62999754) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID62999754
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1cccc2[nH]ccc12)c1cccs1
InChIInChI=1S/C17H20N2S/c1-12(2)17(16-7-4-10-20-16)19-11-13-5-3-6-15-14(13)8-9-18-15/h3-10,12,17-19H,11H2,1-2H3
InChIKeyDGQHGQHZRZNJAK-UHFFFAOYSA-N
XLogP4.72
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 112553966
N-[(2-chloro-3-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 112550327
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81373106
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225866
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine
CID 106224730
N-(1H-indol-4-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 63001401
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 62999754) is N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCc1cccc2[nH]ccc12)c1cccs1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is DGQHGQHZRZNJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12(2)17(16-7-4-10-20-16)19-11-13-5-3-6-15-14(13)8-9-18-15/h3-10,12,17-19H,11H2,1-2H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 284.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 62999754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).