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

C22H29NO2 — CID 11151958

IUPAC(3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)[C@H]1COc2c(cccc2-c2ccc(OC)cc2)C1
InChIInChI=1S/C22H29NO2/c1-4-13-23(14-5-2)19-15-18-7-6-8-21(22(18)25-16-19)17-9-11-20(24-3)12-10-17/h6-12,19H,4-5,13-16H2,1-3H3/t19-/m1/s1
InChIKeyQWKYFMXJKILTAJ-LJQANCHMSA-N
MW339.48 g/mol
LogP4.79
Rot. Bonds7

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

(3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 11151958) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID11151958
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)[C@H]1COc2c(cccc2-c2ccc(OC)cc2)C1
InChIInChI=1S/C22H29NO2/c1-4-13-23(14-5-2)19-15-18-7-6-8-21(22(18)25-16-19)17-9-11-20(24-3)12-10-17/h6-12,19H,4-5,13-16H2,1-3H3/t19-/m1/s1
InChIKeyQWKYFMXJKILTAJ-LJQANCHMSA-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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Related Compounds

(3S)-N,N-dibutyl-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 129411882
7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 174539394
7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141158954
[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
CID 69108404
(2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10426492
5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 14330491
2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione
CID 139959563
methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate
CID 19028093
N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 19028248
[3-[4-[(4-phenylbenzoyl)amino]butyl-propylamino]-3,4-dihydro-2H-chromen-8-yl] trifluoromethanesulfonate
CID 19592134
3-(dipropylamino)-8-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile
CID 69366717
ethyl 2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-methylamino]acetate
CID 30921029

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (CID 11151958) is (3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is CCCN(CCC)[C@H]1COc2c(cccc2-c2ccc(OC)cc2)C1.
What is the InChIKey of (3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is QWKYFMXJKILTAJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29NO2/c1-4-13-23(14-5-2)19-15-18-7-6-8-21(22(18)25-16-19)17-9-11-20(24-3)12-10-17/h6-12,19H,4-5,13-16H2,1-3H3/t19-/m1/s1.
What are the key properties of (3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
(3R)-8-(4-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 (3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 11151958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).