(1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C18H28ClNO — CID 20714594

IUPAC(1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN[C@@H]1CCc2cccc(OC)c2[C@H]1CC1CC1.Cl
InChIInChI=1S/C18H27NO.ClH/c1-3-11-19-16-10-9-14-5-4-6-17(20-2)18(14)15(16)12-13-7-8-13;/h4-6,13,15-16,19H,3,7-12H2,1-2H3;1H/t15-,16+;/m0./s1
InChIKeyAGTDWPJLJSVOFR-IDVLALEDSA-N
MW309.88 g/mol
LogP4.32
Rot. Bonds6

About (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

(1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 20714594) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID20714594
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name(1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN[C@@H]1CCc2cccc(OC)c2[C@H]1CC1CC1.Cl
InChIInChI=1S/C18H27NO.ClH/c1-3-11-19-16-10-9-14-5-4-6-17(20-2)18(14)15(16)12-13-7-8-13;/h4-6,13,15-16,19H,3,7-12H2,1-2H3;1H/t15-,16+;/m0./s1
InChIKeyAGTDWPJLJSVOFR-IDVLALEDSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10014964
(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride
CID 70232746
(1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 20714563
(1S,2R)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 70232451
(1S,2S)-8-methoxy-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 67657910
[8-methoxy-2-(prop-2-enylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 15645423
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
(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,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 67749546
N-(cyclopropylmethyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331788
5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 70072275

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 20714594) is (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CCCN[C@@H]1CCc2cccc(OC)c2[C@H]1CC1CC1.Cl.
What is the InChIKey of (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is AGTDWPJLJSVOFR-IDVLALEDSA-N. The full InChI is InChI=1S/C18H27NO.ClH/c1-3-11-19-16-10-9-14-5-4-6-17(20-2)18(14)15(16)12-13-7-8-13;/h4-6,13,15-16,19H,3,7-12H2,1-2H3;1H/t15-,16+;/m0./s1.
What are the key properties of (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
(1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 309.88 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 20714594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).