3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine

C20H25N3O — CID 50995627

IUPAC3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine
SMILESCOc1ccc(Nc2ccccc2)c2c1c(CCN(C)C)cn2C
InChIInChI=1S/C20H25N3O/c1-22(2)13-12-15-14-23(3)20-17(10-11-18(24-4)19(15)20)21-16-8-6-5-7-9-16/h5-11,14,21H,12-13H2,1-4H3
InChIKeyUMNULTAJQWTRJT-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.03
Rot. Bonds6

About 3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine

3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine (PubChem CID 50995627) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine
PubChem CID50995627
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine
SMILESCOc1ccc(Nc2ccccc2)c2c1c(CCN(C)C)cn2C
InChIInChI=1S/C20H25N3O/c1-22(2)13-12-15-14-23(3)20-17(10-11-18(24-4)19(15)20)21-16-8-6-5-7-9-16/h5-11,14,21H,12-13H2,1-4H3
InChIKeyUMNULTAJQWTRJT-UHFFFAOYSA-N
XLogP4.03
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (E)-3-[3-[2-(dimethylamino)ethyl]-4-methoxy-1-methylindol-7-yl]prop-2-enoate;hydrochloride
CID 86654328
3-[3-[2-(dimethylamino)ethyl]-4-methoxy-1-methylindol-7-yl]prop-2-enoic acid
CID 66927171
N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine
CID 166138190
2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride
CID 68787061
2-methoxy-N-phenylaniline
CID 10910514
2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine
CID 68568799
4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid
CID 18783963
2,4,5-trimethoxy-N-phenylaniline
CID 151522704
3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol
CID 156852043
3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride
CID 166732600
2-methoxy-1-N-phenylbenzene-1,4-diamine
CID 22062515
2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 10082834

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine (CID 50995627) is 3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine is COc1ccc(Nc2ccccc2)c2c1c(CCN(C)C)cn2C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine?
The InChIKey is UMNULTAJQWTRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22(2)13-12-15-14-23(3)20-17(10-11-18(24-4)19(15)20)21-16-8-6-5-7-9-16/h5-11,14,21H,12-13H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine?
3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine has a molecular weight of 323.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-phenylindol-7-amine is sourced from PubChem (CID 50995627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).