2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine

C16H23ClN2O — CID 23373084

IUPAC2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1Cl
InChIInChI=1S/C16H23ClN2O/c1-4-5-10-20-14-7-6-13-15(16(14)17)12(11-18-13)8-9-19(2)3/h6-7,11,18H,4-5,8-10H2,1-3H3
InChIKeyOGFICQMJPKGDPF-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.10
Rot. Bonds7

About 2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine

2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 23373084) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID23373084
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1Cl
InChIInChI=1S/C16H23ClN2O/c1-4-5-10-20-14-7-6-13-15(16(14)17)12(11-18-13)8-9-19(2)3/h6-7,11,18H,4-5,8-10H2,1-3H3
InChIKeyOGFICQMJPKGDPF-UHFFFAOYSA-N
XLogP4.10
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine
CID 23373069
N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine
CID 23373042
bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride
CID 158716765
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
1,2,3-trichloro-4-octoxybenzene
CID 23191648
4-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-oxoethoxy]butanoic acid
CID 176651472
2-[4-(difluoromethylsulfonyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 178014897
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 4-methoxybenzoate
CID 169040368
[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl] hexanoate
CID 177196026
2-[2-[2-[2-(dimethylamino)ethyl]-4-nonylphenoxy]-5-nonylphenyl]-N,N-dimethylethanamine
CID 71439166

Frequently Asked Questions

What is the IUPAC name of 2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine (CID 23373084) is 2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine is CCCCOc1ccc2[nH]cc(CCN(C)C)c2c1Cl.
What is the InChIKey of 2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is OGFICQMJPKGDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-4-5-10-20-14-7-6-13-15(16(14)17)12(11-18-13)8-9-19(2)3/h6-7,11,18H,4-5,8-10H2,1-3H3.
What are the key properties of 2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 294.83 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 23373084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).