N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine

C16H24N2O — CID 168946921

IUPACN,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine
SMILESCCN(CC)CCc1c[nH]c2c(C)ccc(OC)c12
InChIInChI=1S/C16H24N2O/c1-5-18(6-2)10-9-13-11-17-16-12(3)7-8-14(19-4)15(13)16/h7-8,11,17H,5-6,9-10H2,1-4H3
InChIKeyRPZGFBGKDPNZMP-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.37
Rot. Bonds6

About N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine

N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine (PubChem CID 168946921) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine
PubChem CID168946921
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine
SMILESCCN(CC)CCc1c[nH]c2c(C)ccc(OC)c12
InChIInChI=1S/C16H24N2O/c1-5-18(6-2)10-9-13-11-17-16-12(3)7-8-14(19-4)15(13)16/h7-8,11,17H,5-6,9-10H2,1-4H3
InChIKeyRPZGFBGKDPNZMP-UHFFFAOYSA-N
XLogP3.37
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)ethanamine
CID 168946783
[3-[2-(dimethylamino)ethyl]-7-methyl-1H-indol-4-yl] dihydrogen phosphate
CID 162744827
N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 168946991
7-chloro-3-ethyl-4-methoxy-1H-indole
CID 131972081
4-methoxy-3-propyl-1H-indole-7-carboxylic acid
CID 170204793
N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine
CID 166158001
2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride
CID 18702258
ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836181
3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448
3-(7-chloro-4-methoxy-1H-indol-3-yl)propanoic acid
CID 82499552
2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 10082834
[3-[2-(diethylamino)ethyl]-1H-indol-4-yl] butanoate
CID 169222315

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine (CID 168946921) is N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine is CCN(CC)CCc1c[nH]c2c(C)ccc(OC)c12.
What is the InChIKey of N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is RPZGFBGKDPNZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-18(6-2)10-9-13-11-17-16-12(3)7-8-14(19-4)15(13)16/h7-8,11,17H,5-6,9-10H2,1-4H3.
What are the key properties of N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine?
N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 260.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 168946921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).