3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine

C15H24N2O — CID 117201536

IUPAC3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
SMILESCOc1ccc2c(c1)CC(CCCN)N2C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)17-13(5-4-8-16)9-12-10-14(18-3)6-7-15(12)17/h6-7,10-11,13H,4-5,8-9,16H2,1-3H3
InChIKeyMQKHJIDJWPZJRH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.57
Rot. Bonds5

About 3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine

3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine (PubChem CID 117201536) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
PubChem CID117201536
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
SMILESCOc1ccc2c(c1)CC(CCCN)N2C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)17-13(5-4-8-16)9-12-10-14(18-3)6-7-15(12)17/h6-7,10-11,13H,4-5,8-9,16H2,1-3H3
InChIKeyMQKHJIDJWPZJRH-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine
CID 117201497
3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201227
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 115006247
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid
CID 117201564
1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine
CID 117201525
3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201453
2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol
CID 117201471
2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117201446
5-methoxy-2-methyl-2,3-dihydroindol-1-amine
CID 154110611
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid
CID 117201252
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
1-butan-2-yl-5-methoxy-2,3-dihydroindole
CID 134286495

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine (CID 117201536) is 3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine is COc1ccc2c(c1)CC(CCCN)N2C(C)C.
What is the InChIKey of 3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine?
The InChIKey is MQKHJIDJWPZJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)17-13(5-4-8-16)9-12-10-14(18-3)6-7-15(12)17/h6-7,10-11,13H,4-5,8-9,16H2,1-3H3.
What are the key properties of 3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine?
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine is sourced from PubChem (CID 117201536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).