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

C15H23NO — CID 114745005

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cccc2c1OCCC2)C(C)C
InChIInChI=1S/C15H23NO/c1-4-16-14(11(2)3)13-9-5-7-12-8-6-10-17-15(12)13/h5,7,9,11,14,16H,4,6,8,10H2,1-3H3
InChIKeyICKPOEQDCPVHHV-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.32
Rot. Bonds4

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

1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 114745005) 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-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
PubChem CID114745005
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cccc2c1OCCC2)C(C)C
InChIInChI=1S/C15H23NO/c1-4-16-14(11(2)3)13-9-5-7-12-8-6-10-17-15(12)13/h5,7,9,11,14,16H,4,6,8,10H2,1-3H3
InChIKeyICKPOEQDCPVHHV-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

N-[3,4-dihydro-2H-chromen-8-yl(furan-2-yl)methyl]ethanamine
CID 114745255
1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
CID 114745351
N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine
CID 114745944
N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine
CID 114744929
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-4-methoxypentan-1-amine
CID 105187250
N-[(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114744924
1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 114746271
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923918
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 114746240
N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
CID 114744967
N-[3,4-dihydro-2H-chromen-8-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 114745552
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine (CID 114745005) is 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine is CCNC(c1cccc2c1OCCC2)C(C)C.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is ICKPOEQDCPVHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-16-14(11(2)3)13-9-5-7-12-8-6-10-17-15(12)13/h5,7,9,11,14,16H,4,6,8,10H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 233.35 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-8-yl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 114745005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).