4-(5-propan-2-yloxyindol-1-yl)butan-1-amine

C15H22N2O — CID 80643163

IUPAC4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
SMILESCC(C)Oc1ccc2c(ccn2CCCCN)c1
InChIInChI=1S/C15H22N2O/c1-12(2)18-14-5-6-15-13(11-14)7-10-17(15)9-4-3-8-16/h5-7,10-12H,3-4,8-9,16H2,1-2H3
InChIKeyVTBPDPNLBXRCDG-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.17
Rot. Bonds6

About 4-(5-propan-2-yloxyindol-1-yl)butan-1-amine

4-(5-propan-2-yloxyindol-1-yl)butan-1-amine (PubChem CID 80643163) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(5-propan-2-yloxyindol-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
PubChem CID80643163
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
SMILESCC(C)Oc1ccc2c(ccn2CCCCN)c1
InChIInChI=1S/C15H22N2O/c1-12(2)18-14-5-6-15-13(11-14)7-10-17(15)9-4-3-8-16/h5-7,10-12H,3-4,8-9,16H2,1-2H3
InChIKeyVTBPDPNLBXRCDG-UHFFFAOYSA-N
XLogP3.17
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoropropyl)-5-propan-2-yloxyindole
CID 116625898
1-(3-ethoxypropyl)-5-propan-2-yloxyindole
CID 116625752
1-(2-methoxyethyl)-5-propan-2-yloxyindole
CID 116625827
5-propan-2-yloxy-1-(2-propoxyethyl)indole
CID 106458095
1-(2-piperidin-1-ylethyl)-5-propan-2-yloxyindole
CID 116625738
N-propan-2-yl-3-(5-propan-2-yloxyindol-1-yl)propanamide
CID 116625781
5-propan-2-yloxy-1-prop-2-ynylindole
CID 116625801
1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole
CID 80649265
1-(cyclopentylmethyl)-5-propan-2-yloxyindole
CID 116625784
N,N-dimethyl-1-[(5-propan-2-yloxyindol-1-yl)methyl]cyclopropan-1-amine
CID 162388983
1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole
CID 116625768
3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one
CID 80643678

Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yloxyindol-1-yl)butan-1-amine?
The IUPAC name of 4-(5-propan-2-yloxyindol-1-yl)butan-1-amine (CID 80643163) is 4-(5-propan-2-yloxyindol-1-yl)butan-1-amine.
What is the SMILES notation for 4-(5-propan-2-yloxyindol-1-yl)butan-1-amine?
The canonical SMILES for 4-(5-propan-2-yloxyindol-1-yl)butan-1-amine is CC(C)Oc1ccc2c(ccn2CCCCN)c1.
What is the InChIKey of 4-(5-propan-2-yloxyindol-1-yl)butan-1-amine?
The InChIKey is VTBPDPNLBXRCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(2)18-14-5-6-15-13(11-14)7-10-17(15)9-4-3-8-16/h5-7,10-12H,3-4,8-9,16H2,1-2H3.
What are the key properties of 4-(5-propan-2-yloxyindol-1-yl)butan-1-amine?
4-(5-propan-2-yloxyindol-1-yl)butan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yloxyindol-1-yl)butan-1-amine is sourced from PubChem (CID 80643163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).