N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine

C18H27NO2 — CID 107136469

IUPACN-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCOC1)C1CCOc2ccccc21
InChIInChI=1S/C18H27NO2/c1-2-10-19-18(14-6-5-11-20-13-14)16-9-12-21-17-8-4-3-7-15(16)17/h3-4,7-8,14,16,18-19H,2,5-6,9-13H2,1H3
InChIKeyBDCUAWDBEACLBC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.35
Rot. Bonds5

About N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine

N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine (PubChem CID 107136469) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine
PubChem CID107136469
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCOC1)C1CCOc2ccccc21
InChIInChI=1S/C18H27NO2/c1-2-10-19-18(14-6-5-11-20-13-14)16-9-12-21-17-8-4-3-7-15(16)17/h3-4,7-8,14,16,18-19H,2,5-6,9-13H2,1H3
InChIKeyBDCUAWDBEACLBC-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-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

N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136795
N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 107136482
N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647609
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine
CID 65409887
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine
CID 65409497
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
1-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 65412626
[cyclohexyl(3,4-dihydro-2H-chromen-4-yl)methyl]hydrazine
CID 105233788
2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine
CID 104770430
N-[1-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83178375
N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine
CID 107136471
[3,4-dihydro-2H-chromen-4-yl-(4-methylcyclohexyl)methyl]hydrazine
CID 105233829

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine (CID 107136469) is N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine is CCCNC(C1CCCOC1)C1CCOc2ccccc21.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine?
The InChIKey is BDCUAWDBEACLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-10-19-18(14-6-5-11-20-13-14)16-9-12-21-17-8-4-3-7-15(16)17/h3-4,7-8,14,16,18-19H,2,5-6,9-13H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 107136469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).