3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine

C18H28N2O — CID 83164736

IUPAC3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
SMILESCC(C)Oc1cccc2c1ccn2CCNC(C)C(C)C
InChIInChI=1S/C18H28N2O/c1-13(2)15(5)19-10-12-20-11-9-16-17(20)7-6-8-18(16)21-14(3)4/h6-9,11,13-15,19H,10,12H2,1-5H3
InChIKeyQXXFNGLUWIYFED-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.06
Rot. Bonds7

About 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine

3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine (PubChem CID 83164736) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
PubChem CID83164736
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
SMILESCC(C)Oc1cccc2c1ccn2CCNC(C)C(C)C
InChIInChI=1S/C18H28N2O/c1-13(2)15(5)19-10-12-20-11-9-16-17(20)7-6-8-18(16)21-14(3)4/h6-9,11,13-15,19H,10,12H2,1-5H3
InChIKeyQXXFNGLUWIYFED-UHFFFAOYSA-N
XLogP4.06
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83164753
N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine
CID 82793034
N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83163508
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
CID 106458016
4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole
CID 83174058
5-(4-propan-2-yloxyindol-1-yl)pentanoic acid
CID 83163319
4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole
CID 83173873
1-hept-6-enyl-4-propan-2-yloxyindole
CID 107010208
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
CID 83174239
1-(furan-3-ylmethyl)-4-propan-2-yloxyindole
CID 83182716

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine (CID 83164736) is 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine is CC(C)Oc1cccc2c1ccn2CCNC(C)C(C)C.
What is the InChIKey of 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine?
The InChIKey is QXXFNGLUWIYFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)15(5)19-10-12-20-11-9-16-17(20)7-6-8-18(16)21-14(3)4/h6-9,11,13-15,19H,10,12H2,1-5H3.
What are the key properties of 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine?
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 83164736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).