(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C23H31NO — CID 11187960

IUPAC(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@H]1CCc2c(cccc2-c2ccccc2OC)C1
InChIInChI=1S/C23H31NO/c1-4-15-24(16-5-2)19-13-14-20-18(17-19)9-8-11-21(20)22-10-6-7-12-23(22)25-3/h6-12,19H,4-5,13-17H2,1-3H3/t19-/m0/s1
InChIKeyNCAKKDDHRADESJ-IBGZPJMESA-N
MW337.51 g/mol
LogP5.34
Rot. Bonds7

About (2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 11187960) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID11187960
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@H]1CCc2c(cccc2-c2ccccc2OC)C1
InChIInChI=1S/C23H31NO/c1-4-15-24(16-5-2)19-13-14-20-18(17-19)9-8-11-21(20)22-10-6-7-12-23(22)25-3/h6-12,19H,4-5,13-17H2,1-3H3/t19-/m0/s1
InChIKeyNCAKKDDHRADESJ-IBGZPJMESA-N
XLogP5.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 11187960) is (2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)[C@H]1CCc2c(cccc2-c2ccccc2OC)C1.
What is the InChIKey of (2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is NCAKKDDHRADESJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H31NO/c1-4-15-24(16-5-2)19-13-14-20-18(17-19)9-8-11-21(20)22-10-6-7-12-23(22)25-3/h6-12,19H,4-5,13-17H2,1-3H3/t19-/m0/s1.
What are the key properties of (2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 337.51 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 11187960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).