1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine

C14H21NO — CID 114744902

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO/c1-10(2)9-13(15)12-7-3-5-11-6-4-8-16-14(11)12/h3,5,7,10,13H,4,6,8-9,15H2,1-2H3
InChIKeyHLUUZLMALWSZDV-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.06
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine

1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine (PubChem CID 114744902) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
PubChem CID114744902
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO/c1-10(2)9-13(15)12-7-3-5-11-6-4-8-16-14(11)12/h3,5,7,10,13H,4,6,8-9,15H2,1-2H3
InChIKeyHLUUZLMALWSZDV-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
CID 114200584
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine
CID 114745442
1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine
CID 105189364
1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
CID 114745358
1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine
CID 114746628
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745496
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745649
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114745997

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine (CID 114744902) is 1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine is CC(C)CC(N)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine?
The InChIKey is HLUUZLMALWSZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)9-13(15)12-7-3-5-11-6-4-8-16-14(11)12/h3,5,7,10,13H,4,6,8-9,15H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.06, 3 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-8-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 114744902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).