2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine

C21H26N2O — CID 124798455

IUPAC2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cn(C(C)C)c3ccccc23)cc1
InChIInChI=1S/C21H26N2O/c1-16(2)23-15-18(20-6-4-5-7-21(20)23)14-22-13-12-17-8-10-19(24-3)11-9-17/h4-11,15-16,22H,12-14H2,1-3H3
InChIKeyKVEQDKUXTOCKQP-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.56
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine

2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine (PubChem CID 124798455) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
PubChem CID124798455
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cn(C(C)C)c3ccccc23)cc1
InChIInChI=1S/C21H26N2O/c1-16(2)23-15-18(20-6-4-5-7-21(20)23)14-22-13-12-17-8-10-19(24-3)11-9-17/h4-11,15-16,22H,12-14H2,1-3H3
InChIKeyKVEQDKUXTOCKQP-UHFFFAOYSA-N
XLogP4.56
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine
CID 119027565
2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744
N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine
CID 119027489
N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
CID 71825768
N-[(1-propan-2-ylindol-3-yl)methyl]prop-2-en-1-amine
CID 94074093
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide
CID 75531511
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220553
3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171875
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
2-(3,4-dimethoxyphenyl)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]ethanamine
CID 124822309
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine (CID 124798455) is 2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine is COc1ccc(CCNCc2cn(C(C)C)c3ccccc23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine?
The InChIKey is KVEQDKUXTOCKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(2)23-15-18(20-6-4-5-7-21(20)23)14-22-13-12-17-8-10-19(24-3)11-9-17/h4-11,15-16,22H,12-14H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine?
2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine has a molecular weight of 322.45 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine is sourced from PubChem (CID 124798455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).