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

C18H29NO — CID 105034256

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
SMILESCCNC(CC1CCOc2ccccc21)C(CC)CC
InChIInChI=1S/C18H29NO/c1-4-14(5-2)17(19-6-3)13-15-11-12-20-18-10-8-7-9-16(15)18/h7-10,14-15,17,19H,4-6,11-13H2,1-3H3
InChIKeyKCZGXQUITNWCJC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.36
Rot. Bonds7

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

1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine (PubChem CID 105034256) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
PubChem CID105034256
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
SMILESCCNC(CC1CCOc2ccccc21)C(CC)CC
InChIInChI=1S/C18H29NO/c1-4-14(5-2)17(19-6-3)13-15-11-12-20-18-10-8-7-9-16(15)18/h7-10,14-15,17,19H,4-6,11-13H2,1-3H3
InChIKeyKCZGXQUITNWCJC-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-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)-3-ethyl-N-propylpentan-2-amine
CID 105034374
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770384
1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770185
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 104770351
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715910
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-ethyl-5,5,5-trifluoropentan-2-amine
CID 104770504
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine
CID 104770492
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105034371

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine (CID 105034256) is 1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine is CCNC(CC1CCOc2ccccc21)C(CC)CC.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine?
The InChIKey is KCZGXQUITNWCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-14(5-2)17(19-6-3)13-15-11-12-20-18-10-8-7-9-16(15)18/h7-10,14-15,17,19H,4-6,11-13H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.36, 7 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,3-diethylpentan-2-amine is sourced from PubChem (CID 105034256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).