N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine

C20H24N2O2 — CID 119125508

IUPACN-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine
SMILESCOc1ccc(OC)c(CNCCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H24N2O2/c1-23-17-9-10-20(24-2)16(12-17)13-21-11-5-6-15-14-22-19-8-4-3-7-18(15)19/h3-4,7-10,12,14,21-22H,5-6,11,13H2,1-2H3
InChIKeyLAKZCRGANCVLDE-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.91
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine

N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine (PubChem CID 119125508) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine
PubChem CID119125508
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine
SMILESCOc1ccc(OC)c(CNCCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H24N2O2/c1-23-17-9-10-20(24-2)16(12-17)13-21-11-5-6-15-14-22-19-8-4-3-7-18(15)19/h3-4,7-10,12,14,21-22H,5-6,11,13H2,1-2H3
InChIKeyLAKZCRGANCVLDE-UHFFFAOYSA-N
XLogP3.91
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 2248968
N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027566
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 11317125
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 119106557
N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 124907942
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
2-(1H-indol-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17294634
2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17333202
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 70147213

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine (CID 119125508) is N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine is COc1ccc(OC)c(CNCCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine?
The InChIKey is LAKZCRGANCVLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-23-17-9-10-20(24-2)16(12-17)13-21-11-5-6-15-14-22-19-8-4-3-7-18(15)19/h3-4,7-10,12,14,21-22H,5-6,11,13H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine?
N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine has a molecular weight of 324.42 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 119125508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).