(3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine

C16H25NO2 — CID 10563531

IUPAC(3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(C(C)C)[C@H]1COc2cccc(OC)c2C1
InChIInChI=1S/C16H25NO2/c1-5-9-17(12(2)3)13-10-14-15(18-4)7-6-8-16(14)19-11-13/h6-8,12-13H,5,9-11H2,1-4H3/t13-/m1/s1
InChIKeyNUJFNTUXLCZJNS-CYBMUJFWSA-N
MW263.38 g/mol
LogP3.12
Rot. Bonds5

About (3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine

(3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 10563531) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID10563531
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(C(C)C)[C@H]1COc2cccc(OC)c2C1
InChIInChI=1S/C16H25NO2/c1-5-9-17(12(2)3)13-10-14-15(18-4)7-6-8-16(14)19-11-13/h6-8,12-13H,5,9-11H2,1-4H3/t13-/m1/s1
InChIKeyNUJFNTUXLCZJNS-CYBMUJFWSA-N
XLogP3.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol
CID 19028167
methyl [3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]sulfanylformate
CID 57189800
5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine
CID 57251083
5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 14330491
(3S)-N,N-dibenzyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 18739701
2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione
CID 139959563
[(3R)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]methanol
CID 130660382
[(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]methanol
CID 71713222
4-fluoro-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide
CID 10319624
[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl] 2,2-dimethylpropanoate;hydrobromide
CID 14330508
methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate
CID 19028093
N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 57001121

Frequently Asked Questions

What is the IUPAC name of (3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine (CID 10563531) is (3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine is CCCN(C(C)C)[C@H]1COc2cccc(OC)c2C1.
What is the InChIKey of (3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is NUJFNTUXLCZJNS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-9-17(12(2)3)13-10-14-15(18-4)7-6-8-16(14)19-11-13/h6-8,12-13H,5,9-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine?
(3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 263.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 10563531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).