4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine

C16H25NO — CID 114746902

IUPAC4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cccc2c1OCCC2
InChIInChI=1S/C16H25NO/c1-3-11-17-13(2)9-10-15-7-4-6-14-8-5-12-18-16(14)15/h4,6-7,13,17H,3,5,8-12H2,1-2H3
InChIKeyVVQWXXWSGPJKKX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.33
Rot. Bonds6

About 4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine

4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine (PubChem CID 114746902) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
PubChem CID114746902
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cccc2c1OCCC2
InChIInChI=1S/C16H25NO/c1-3-11-17-13(2)9-10-15-7-4-6-14-8-5-12-18-16(14)15/h4,6-7,13,17H,3,5,8-12H2,1-2H3
InChIKeyVVQWXXWSGPJKKX-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
CID 114746879
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine
CID 114746942
1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
CID 114745351
1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one
CID 114746846
3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine
CID 114746898
(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 114745087
7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
CID 114747068
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine
CID 114745447
1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114745113

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine (CID 114746902) is 4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine is CCCNC(C)CCc1cccc2c1OCCC2.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine?
The InChIKey is VVQWXXWSGPJKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-11-17-13(2)9-10-15-7-4-6-14-8-5-12-18-16(14)15/h4,6-7,13,17H,3,5,8-12H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine?
4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 114746902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).