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

C16H25NO — CID 63842967

IUPACN-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCC(CC)C(C)NC1CCOc2ccccc21
InChIInChI=1S/C16H25NO/c1-4-13(5-2)12(3)17-15-10-11-18-16-9-7-6-8-14(15)16/h6-9,12-13,15,17H,4-5,10-11H2,1-3H3
InChIKeyWDUATXQUCOEESO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds5

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

N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 63842967) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID63842967
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCC(CC)C(C)NC1CCOc2ccccc21
InChIInChI=1S/C16H25NO/c1-4-13(5-2)12(3)17-15-10-11-18-16-9-7-6-8-14(15)16/h6-9,12-13,15,17H,4-5,10-11H2,1-3H3
InChIKeyWDUATXQUCOEESO-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol
CID 43723838
N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418412
N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115725491
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115721989
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
CID 62365912
N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
CID 60943496
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
CID 60722358
N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43749078
N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
CID 91322782
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 63842967) is N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine is CCC(CC)C(C)NC1CCOc2ccccc21.
What is the InChIKey of N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WDUATXQUCOEESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-13(5-2)12(3)17-15-10-11-18-16-9-7-6-8-14(15)16/h6-9,12-13,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 247.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 63842967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).