2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine

C18H24N2O — CID 62328356

IUPAC2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCCCOc1ccc(-n2c(C)cc3c2CCCC3N)cc1
InChIInChI=1S/C18H24N2O/c1-3-11-21-15-9-7-14(8-10-15)20-13(2)12-16-17(19)5-4-6-18(16)20/h7-10,12,17H,3-6,11,19H2,1-2H3
InChIKeySKJFNWCOJVYBLJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.91
Rot. Bonds4

About 2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine

2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 62328356) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID62328356
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCCCOc1ccc(-n2c(C)cc3c2CCCC3N)cc1
InChIInChI=1S/C18H24N2O/c1-3-11-21-15-9-7-14(8-10-15)20-13(2)12-16-17(19)5-4-6-18(16)20/h7-10,12,17H,3-6,11,19H2,1-2H3
InChIKeySKJFNWCOJVYBLJ-UHFFFAOYSA-N
XLogP3.91
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 62812766
1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 115379081
2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63466097
1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 63464654
1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 107605988
1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 83170015
1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 107595389
1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 66241810
1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 65053297
1-(4-propoxyphenyl)pyrrolidin-3-amine
CID 62329191
ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 144986736
1-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 114128441

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine (CID 62328356) is 2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine is CCCOc1ccc(-n2c(C)cc3c2CCCC3N)cc1.
What is the InChIKey of 2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is SKJFNWCOJVYBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-11-21-15-9-7-14(8-10-15)20-13(2)12-16-17(19)5-4-6-18(16)20/h7-10,12,17H,3-6,11,19H2,1-2H3.
What are the key properties of 2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine?
2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 284.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 62328356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).