N-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine

C22H31NO — CID 54327531

IUPACN-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine
SMILESCN(CCCOc1ccccc1)CCCC1CCC2=C1CC=CC2
InChIInChI=1S/C22H31NO/c1-23(17-8-18-24-21-11-3-2-4-12-21)16-7-10-20-15-14-19-9-5-6-13-22(19)20/h2-6,11-12,20H,7-10,13-18H2,1H3
InChIKeySWAIVDIBSBDMMQ-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.22
Rot. Bonds9

About N-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine

N-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine (PubChem CID 54327531) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is N-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine
PubChem CID54327531
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC NameN-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine
SMILESCN(CCCOc1ccccc1)CCCC1CCC2=C1CC=CC2
InChIInChI=1S/C22H31NO/c1-23(17-8-18-24-21-11-3-2-4-12-21)16-7-10-20-15-14-19-9-5-6-13-22(19)20/h2-6,11-12,20H,7-10,13-18H2,1H3
InChIKeySWAIVDIBSBDMMQ-UHFFFAOYSA-N
XLogP5.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine?
The IUPAC name of N-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine (CID 54327531) is N-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine.
What is the SMILES notation for N-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine?
The canonical SMILES for N-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine is CN(CCCOc1ccccc1)CCCC1CCC2=C1CC=CC2.
What is the InChIKey of N-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine?
The InChIKey is SWAIVDIBSBDMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-23(17-8-18-24-21-11-3-2-4-12-21)16-7-10-20-15-14-19-9-5-6-13-22(19)20/h2-6,11-12,20H,7-10,13-18H2,1H3.
What are the key properties of N-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine?
N-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine has a molecular weight of 325.50 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenoxypropyl)-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine is sourced from PubChem (CID 54327531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).