N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine

C16H25NO — CID 115756745

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNCC1CCOc2ccccc21
InChIInChI=1S/C16H25NO/c1-3-13(4-2)11-17-12-14-9-10-18-16-8-6-5-7-15(14)16/h5-8,13-14,17H,3-4,9-12H2,1-2H3
InChIKeyYZNPIJDHYWZKGB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.58
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine (PubChem CID 115756745) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
PubChem CID115756745
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNCC1CCOc2ccccc21
InChIInChI=1S/C16H25NO/c1-3-13(4-2)11-17-12-14-9-10-18-16-8-6-5-7-15(14)16/h5-8,13-14,17H,3-4,9-12H2,1-2H3
InChIKeyYZNPIJDHYWZKGB-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol
CID 115757110
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propane-1,2-diol
CID 113451136
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
CID 113320280
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 104768322
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
CID 115907993
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine
CID 115653655

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine (CID 115756745) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine is CCC(CC)CNCC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine?
The InChIKey is YZNPIJDHYWZKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13(4-2)11-17-12-14-9-10-18-16-8-6-5-7-15(14)16/h5-8,13-14,17H,3-4,9-12H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine is sourced from PubChem (CID 115756745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).