5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C20H25NO — CID 24880718

IUPAC5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc2c1CCC(NCCCc1ccccc1)C2
InChIInChI=1S/C20H25NO/c1-22-20-11-5-10-17-15-18(12-13-19(17)20)21-14-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,18,21H,6,9,12-15H2,1H3
InChIKeyXTDGLLIWNKFVCC-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.77
Rot. Bonds6

About 5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 24880718) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID24880718
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc2c1CCC(NCCCc1ccccc1)C2
InChIInChI=1S/C20H25NO/c1-22-20-11-5-10-17-15-18(12-13-19(17)20)21-14-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,18,21H,6,9,12-15H2,1H3
InChIKeyXTDGLLIWNKFVCC-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.77
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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Related Compounds

(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635993
6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
CID 70057029
(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494595
(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 22866782
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
8-(3-methoxy-2-pyridinyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 18933161
N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 19773285
N-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 15061903
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
5-methoxy-N-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 73455275

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 24880718) is 5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COc1cccc2c1CCC(NCCCc1ccccc1)C2.
What is the InChIKey of 5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is XTDGLLIWNKFVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-22-20-11-5-10-17-15-18(12-13-19(17)20)21-14-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,18,21H,6,9,12-15H2,1H3.
What are the key properties of 5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 24880718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).