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

C19H31NO — CID 105034374

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
SMILESCCCNC(CC1CCOc2ccccc21)C(CC)CC
InChIInChI=1S/C19H31NO/c1-4-12-20-18(15(5-2)6-3)14-16-11-13-21-19-10-8-7-9-17(16)19/h7-10,15-16,18,20H,4-6,11-14H2,1-3H3
InChIKeyLBMCUAQOWIXFKX-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.75
Rot. Bonds8

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

1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine (PubChem CID 105034374) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
PubChem CID105034374
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
SMILESCCCNC(CC1CCOc2ccccc21)C(CC)CC
InChIInChI=1S/C19H31NO/c1-4-12-20-18(15(5-2)6-3)14-16-11-13-21-19-10-8-7-9-17(16)19/h7-10,15-16,18,20H,4-6,11-14H2,1-3H3
InChIKeyLBMCUAQOWIXFKX-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256
1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715910
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
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
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine
CID 104770492
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265294

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine (CID 105034374) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine is CCCNC(CC1CCOc2ccccc21)C(CC)CC.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine?
The InChIKey is LBMCUAQOWIXFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-12-20-18(15(5-2)6-3)14-16-11-13-21-19-10-8-7-9-17(16)19/h7-10,15-16,18,20H,4-6,11-14H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine is sourced from PubChem (CID 105034374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).