4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline

C20H25N3 — CID 83976395

IUPAC4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline
SMILESCc1ccc2[nH]cc(C(CN)Cc3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C20H25N3/c1-14-4-9-20-18(10-14)19(13-22-20)16(12-21)11-15-5-7-17(8-6-15)23(2)3/h4-10,13,16,22H,11-12,21H2,1-3H3
InChIKeyHIVDKJBHSLAJBL-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.83
Rot. Bonds5

About 4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline

4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline (PubChem CID 83976395) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline
PubChem CID83976395
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline
SMILESCc1ccc2[nH]cc(C(CN)Cc3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C20H25N3/c1-14-4-9-20-18(10-14)19(13-22-20)16(12-21)11-15-5-7-17(8-6-15)23(2)3/h4-10,13,16,22H,11-12,21H2,1-3H3
InChIKeyHIVDKJBHSLAJBL-UHFFFAOYSA-N
XLogP3.83
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline
CID 83976530
3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
CID 83976420
2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 83976433
2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol
CID 83976615
3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine
CID 83976598
2-(5-methoxy-1H-indol-3-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976611
4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline
CID 83974047
2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine
CID 83987534
2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
CID 83976499
3-(5-methyl-1H-indol-3-yl)hexanoic acid
CID 142468464

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline (CID 83976395) is 4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline is Cc1ccc2[nH]cc(C(CN)Cc3ccc(N(C)C)cc3)c2c1.
What is the InChIKey of 4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline?
The InChIKey is HIVDKJBHSLAJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-14-4-9-20-18(10-14)19(13-22-20)16(12-21)11-15-5-7-17(8-6-15)23(2)3/h4-10,13,16,22H,11-12,21H2,1-3H3.
What are the key properties of 4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline?
4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline has a molecular weight of 307.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline is sourced from PubChem (CID 83976395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).