N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine

C22H22N2S — CID 124812324

IUPACN-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESCc1ccc(Cn2cc(CNCc3cccs3)c3ccccc32)cc1
InChIInChI=1S/C22H22N2S/c1-17-8-10-18(11-9-17)15-24-16-19(21-6-2-3-7-22(21)24)13-23-14-20-5-4-12-25-20/h2-12,16,23H,13-15H2,1H3
InChIKeyDQMXUZRIKOVIKV-UHFFFAOYSA-N
MW346.50 g/mol
LogP5.35
Rot. Bonds6

About N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine

N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine (PubChem CID 124812324) has the molecular formula C22H22N2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine
PubChem CID124812324
Molecular FormulaC22H22N2S
Molecular Weight346.50 g/mol
Exact Mass346.15
IUPAC NameN-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESCc1ccc(Cn2cc(CNCc3cccs3)c3ccccc32)cc1
InChIInChI=1S/C22H22N2S/c1-17-8-10-18(11-9-17)15-24-16-19(21-6-2-3-7-22(21)24)13-23-14-20-5-4-12-25-20/h2-12,16,23H,13-15H2,1H3
InChIKeyDQMXUZRIKOVIKV-UHFFFAOYSA-N
XLogP5.35
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 124816345
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 124818061
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 118463358
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
CID 124784130
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine
CID 124799232
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
(2S)-2-(methylamino)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanoic acid
CID 68812969

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine (CID 124812324) is N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine is Cc1ccc(Cn2cc(CNCc3cccs3)c3ccccc32)cc1.
What is the InChIKey of N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is DQMXUZRIKOVIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2S/c1-17-8-10-18(11-9-17)15-24-16-19(21-6-2-3-7-22(21)24)13-23-14-20-5-4-12-25-20/h2-12,16,23H,13-15H2,1H3.
What are the key properties of N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine?
N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 346.50 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 124812324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).