(3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

C22H29NO2 — CID 11209976

IUPAC(3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)[C@@H]1COc2c(cccc2-c2ccccc2OC)C1
InChIInChI=1S/C22H29NO2/c1-4-13-23(14-5-2)18-15-17-9-8-11-20(22(17)25-16-18)19-10-6-7-12-21(19)24-3/h6-12,18H,4-5,13-16H2,1-3H3/t18-/m0/s1
InChIKeyVDFXNGPWAIBQSN-SFHVURJKSA-N
MW339.48 g/mol
LogP4.79
Rot. Bonds7

About (3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

(3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 11209976) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID11209976
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)[C@@H]1COc2c(cccc2-c2ccccc2OC)C1
InChIInChI=1S/C22H29NO2/c1-4-13-23(14-5-2)18-15-17-9-8-11-20(22(17)25-16-18)19-10-6-7-12-21(19)24-3/h6-12,18H,4-5,13-16H2,1-3H3/t18-/m0/s1
InChIKeyVDFXNGPWAIBQSN-SFHVURJKSA-N
XLogP4.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (CID 11209976) is (3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is CCCN(CCC)[C@@H]1COc2c(cccc2-c2ccccc2OC)C1.
What is the InChIKey of (3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is VDFXNGPWAIBQSN-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29NO2/c1-4-13-23(14-5-2)18-15-17-9-8-11-20(22(17)25-16-18)19-10-6-7-12-21(19)24-3/h6-12,18H,4-5,13-16H2,1-3H3/t18-/m0/s1.
What are the key properties of (3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
(3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 339.48 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(2-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 11209976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).