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

C22H29NO — CID 12581206

IUPAC5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCc1ccccc1)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C22H29NO/c1-3-15-23(16-14-18-8-5-4-6-9-18)20-12-13-21-19(17-20)10-7-11-22(21)24-2/h4-11,20H,3,12-17H2,1-2H3
InChIKeyFIVSMYOXPMQPKY-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.51
Rot. Bonds7

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

5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 12581206) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID12581206
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCc1ccccc1)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C22H29NO/c1-3-15-23(16-14-18-8-5-4-6-9-18)20-12-13-21-19(17-20)10-7-11-22(21)24-2/h4-11,20H,3,12-17H2,1-2H3
InChIKeyFIVSMYOXPMQPKY-UHFFFAOYSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10063953
(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11187960
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19761690
5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
CID 90668689
(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562626
5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562601
6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 14580578
5-methoxy-N-(2-thiophen-2-ylethyl)-N-(3,3,3-trideuteriopropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 71752120
6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
CID 19773355
(6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 15115510
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158457147
(2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol
CID 175218234

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 12581206) is 5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCc1ccccc1)C1CCc2c(cccc2OC)C1.
What is the InChIKey of 5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is FIVSMYOXPMQPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-3-15-23(16-14-18-8-5-4-6-9-18)20-12-13-21-19(17-20)10-7-11-22(21)24-2/h4-11,20H,3,12-17H2,1-2H3.
What are the key properties of 5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 323.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 12581206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).