1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine

C18H29NO2 — CID 116715910

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(CC1CCOc2ccccc21)C(CC)OC
InChIInChI=1S/C18H29NO2/c1-4-11-19-16(17(5-2)20-3)13-14-10-12-21-18-9-7-6-8-15(14)18/h6-9,14,16-17,19H,4-5,10-13H2,1-3H3
InChIKeyGDLXGSYTLNMWBW-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.74
Rot. Bonds8

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine

1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine (PubChem CID 116715910) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine
PubChem CID116715910
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(CC1CCOc2ccccc21)C(CC)OC
InChIInChI=1S/C18H29NO2/c1-4-11-19-16(17(5-2)20-3)13-14-10-12-21-18-9-7-6-8-15(14)18/h6-9,14,16-17,19H,4-5,10-13H2,1-3H3
InChIKeyGDLXGSYTLNMWBW-UHFFFAOYSA-N
XLogP3.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
CID 105034374
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine
CID 104770492
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 104771905
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine
CID 104771883
N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine
CID 104770542
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103517069
1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxypentan-2-one
CID 116707180
1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine
CID 104770299

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine (CID 116715910) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine is CCCNC(CC1CCOc2ccccc21)C(CC)OC.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine?
The InChIKey is GDLXGSYTLNMWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-11-19-16(17(5-2)20-3)13-14-10-12-21-18-9-7-6-8-15(14)18/h6-9,14,16-17,19H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 116715910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).