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

C15H23NO — CID 107893468

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)C1CCOc2ccccc21
InChIInChI=1S/C15H23NO/c1-3-6-11(2)15(16)13-9-10-17-14-8-5-4-7-12(13)14/h4-5,7-8,11,13,15H,3,6,9-10,16H2,1-2H3
InChIKeyIHHMHGJXXXYMIU-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.32
Rot. Bonds4

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

1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine (PubChem CID 107893468) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine
PubChem CID107893468
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)C1CCOc2ccccc21
InChIInChI=1S/C15H23NO/c1-3-6-11(2)15(16)13-9-10-17-14-8-5-4-7-12(13)14/h4-5,7-8,11,13,15H,3,6,9-10,16H2,1-2H3
InChIKeyIHHMHGJXXXYMIU-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
(4S)-4-[(1R)-1-nitroethyl]-3,4-dihydro-2H-chromene
CID 57342248
1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine
CID 105233759
[1-(3,4-dihydro-2H-chromen-4-yl)-2-ethylbutyl]hydrazine
CID 105233719
3,4-dihydro-2H-chromen-4-yl(furan-2-yl)methanamine
CID 63710811
1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103032406
(4S)-4-[(1R)-1-nitropropyl]-3,4-dihydro-2H-chromene
CID 57342249
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine (CID 107893468) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine is CCCC(C)C(N)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine?
The InChIKey is IHHMHGJXXXYMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-6-11(2)15(16)13-9-10-17-14-8-5-4-7-12(13)14/h4-5,7-8,11,13,15H,3,6,9-10,16H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.32, 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)-2-methylpentan-1-amine is sourced from PubChem (CID 107893468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).