3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine

C22H29NO — CID 10711065

IUPAC3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine
SMILESCOc1cccc2c1CCCC2CCCNCCc1ccccc1
InChIInChI=1S/C22H29NO/c1-24-22-14-6-12-20-19(10-5-13-21(20)22)11-7-16-23-17-15-18-8-3-2-4-9-18/h2-4,6,8-9,12,14,19,23H,5,7,10-11,13,15-17H2,1H3
InChIKeyNIYZPKSXPVXDFN-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.73
Rot. Bonds8

About 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine

3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine (PubChem CID 10711065) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine
PubChem CID10711065
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine
SMILESCOc1cccc2c1CCCC2CCCNCCc1ccccc1
InChIInChI=1S/C22H29NO/c1-24-22-14-6-12-20-19(10-5-13-21(20)22)11-7-16-23-17-15-18-8-3-2-4-9-18/h2-4,6,8-9,12,14,19,23H,5,7,10-11,13,15-17H2,1H3
InChIKeyNIYZPKSXPVXDFN-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine (CID 10711065) is 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine is COc1cccc2c1CCCC2CCCNCCc1ccccc1.
What is the InChIKey of 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine?
The InChIKey is NIYZPKSXPVXDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-24-22-14-6-12-20-19(10-5-13-21(20)22)11-7-16-23-17-15-18-8-3-2-4-9-18/h2-4,6,8-9,12,14,19,23H,5,7,10-11,13,15-17H2,1H3.
What are the key properties of 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine?
3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine has a molecular weight of 323.48 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 10711065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).