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

C14H21NO — CID 114745045

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO/c1-3-6-13(15-2)12-9-4-7-11-8-5-10-16-14(11)12/h4,7,9,13,15H,3,5-6,8,10H2,1-2H3
InChIKeyAYIUWYMUMGBXAG-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.07
Rot. Bonds4

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

1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine (PubChem CID 114745045) 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)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
PubChem CID114745045
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO/c1-3-6-13(15-2)12-9-4-7-11-8-5-10-16-14(11)12/h4,7,9,13,15H,3,5-6,8,10H2,1-2H3
InChIKeyAYIUWYMUMGBXAG-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine
CID 105049036
1-(3,4-dihydro-2H-chromen-8-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547239
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114745216
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 114745237
2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine
CID 114744945
1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114745113
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine
CID 114745447
1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
CID 114745059
[1-(3,4-dihydro-2H-chromen-8-yl)-2-methylsulfanylethyl]hydrazine
CID 105214067
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-4-methoxypentan-1-amine
CID 105187250
1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine
CID 114746243

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine (CID 114745045) is 1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine is CCCC(NC)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine?
The InChIKey is AYIUWYMUMGBXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-6-13(15-2)12-9-4-7-11-8-5-10-16-14(11)12/h4,7,9,13,15H,3,5-6,8,10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.07, 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-8-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 114745045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).