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

C14H21NO — CID 104770168

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
SMILESCCC(CC1CCOc2ccccc21)NC
InChIInChI=1S/C14H21NO/c1-3-12(15-2)10-11-8-9-16-14-7-5-4-6-13(11)14/h4-7,11-12,15H,3,8-10H2,1-2H3
InChIKeyCTDDCIXPMUAPRZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.94
Rot. Bonds4

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

1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine (PubChem CID 104770168) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
PubChem CID104770168
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
SMILESCCC(CC1CCOc2ccccc21)NC
InChIInChI=1S/C14H21NO/c1-3-12(15-2)10-11-8-9-16-14-7-5-4-6-13(11)14/h4-7,11-12,15H,3,8-10H2,1-2H3
InChIKeyCTDDCIXPMUAPRZ-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-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

1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
CID 103169448
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 104770235
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
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)-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-ethyl-4,4-dimethylpentan-2-amine
CID 104770351
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105333582
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
CID 105034374

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine (CID 104770168) is 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine is CCC(CC1CCOc2ccccc21)NC.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine?
The InChIKey is CTDDCIXPMUAPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-12(15-2)10-11-8-9-16-14-7-5-4-6-13(11)14/h4-7,11-12,15H,3,8-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.94, 4 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)-N-methylbutan-2-amine is sourced from PubChem (CID 104770168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).