(2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol

C22H29NO2 — CID 175218234

IUPAC(2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol
SMILESCCCN([C@H]1CCc2c(cccc2OC)C1)[C@H](CO)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-3-14-23(21(16-24)17-8-5-4-6-9-17)19-12-13-20-18(15-19)10-7-11-22(20)25-2/h4-11,19,21,24H,3,12-16H2,1-2H3/t19-,21+/m0/s1
InChIKeyVJUAJUAEGSOFAM-PZJWPPBQSA-N
MW339.48 g/mol
LogP4.00
Rot. Bonds7

About (2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol

(2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol (PubChem CID 175218234) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol
PubChem CID175218234
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol
SMILESCCCN([C@H]1CCc2c(cccc2OC)C1)[C@H](CO)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-3-14-23(21(16-24)17-8-5-4-6-9-17)19-12-13-20-18(15-19)10-7-11-22(20)25-2/h4-11,19,21,24H,3,12-16H2,1-2H3/t19-,21+/m0/s1
InChIKeyVJUAJUAEGSOFAM-PZJWPPBQSA-N
XLogP4.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10063953
5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12581206
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
1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol
CID 169095466
(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11187960
(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
(6S)-6-[butan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 138664604
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
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium
CID 162016290

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol (CID 175218234) is (2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol is CCCN([C@H]1CCc2c(cccc2OC)C1)[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol?
The InChIKey is VJUAJUAEGSOFAM-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H29NO2/c1-3-14-23(21(16-24)17-8-5-4-6-9-17)19-12-13-20-18(15-19)10-7-11-22(20)25-2/h4-11,19,21,24H,3,12-16H2,1-2H3/t19-,21+/m0/s1.
What are the key properties of (2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol?
(2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol has a molecular weight of 339.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-2-phenylethanol is sourced from PubChem (CID 175218234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).