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

C15H23NO — CID 114745059

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cccc2c1OCCC2)C(C)(C)C
InChIInChI=1S/C15H23NO/c1-15(2,3)14(16-4)12-9-5-7-11-8-6-10-17-13(11)12/h5,7,9,14,16H,6,8,10H2,1-4H3
InChIKeyXZSZHIYQSBGYIY-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.32
Rot. Bonds2

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

1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine (PubChem CID 114745059) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
PubChem CID114745059
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cccc2c1OCCC2)C(C)(C)C
InChIInChI=1S/C15H23NO/c1-15(2,3)14(16-4)12-9-5-7-11-8-6-10-17-13(11)12/h5,7,9,14,16H,6,8,10H2,1-4H3
InChIKeyXZSZHIYQSBGYIY-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine
CID 114746243
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745209
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine
CID 105049036
1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 114746271
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114746254
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine
CID 114746942
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)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 114746173
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine (CID 114745059) is 1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine is CNC(c1cccc2c1OCCC2)C(C)(C)C.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is XZSZHIYQSBGYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)14(16-4)12-9-5-7-11-8-6-10-17-13(11)12/h5,7,9,14,16H,6,8,10H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.32, 2 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,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 114745059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).