6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine

C16H25NO2 — CID 54914211

IUPAC6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NCCCC(C)C)CCO2
InChIInChI=1S/C16H25NO2/c1-12(2)5-4-9-17-15-8-10-19-16-7-6-13(18-3)11-14(15)16/h6-7,11-12,15,17H,4-5,8-10H2,1-3H3
InChIKeyDGCKYNWSQXFZKG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.54
Rot. Bonds6

About 6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine

6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 54914211) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID54914211
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NCCCC(C)C)CCO2
InChIInChI=1S/C16H25NO2/c1-12(2)5-4-9-17-15-8-10-19-16-7-6-13(18-3)11-14(15)16/h6-7,11-12,15,17H,4-5,8-10H2,1-3H3
InChIKeyDGCKYNWSQXFZKG-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
6-methoxy-N-(3-methylsulfinylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115721100
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
N'-butan-2-yl-N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 103780845
N-(2-cyclopropylpropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 115713963
1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 103788069
2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol
CID 43771494
N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461741
6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
CID 103522678
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
6-methoxy-N-(2-prop-2-enylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 103901426
N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 126780788

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine (CID 54914211) is 6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(NCCCC(C)C)CCO2.
What is the InChIKey of 6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DGCKYNWSQXFZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)5-4-9-17-15-8-10-19-16-7-6-13(18-3)11-14(15)16/h6-7,11-12,15,17H,4-5,8-10H2,1-3H3.
What are the key properties of 6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine?
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 54914211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).