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

C17H27NO — CID 105049013

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)C(N)c1cccc2c1OCCC2
InChIInChI=1S/C17H27NO/c1-3-5-8-13(4-2)16(18)15-11-6-9-14-10-7-12-19-17(14)15/h6,9,11,13,16H,3-5,7-8,10,12,18H2,1-2H3
InChIKeyGXHLOCMOWWKIDF-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.23
Rot. Bonds6

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

1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine (PubChem CID 105049013) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine
PubChem CID105049013
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)C(N)c1cccc2c1OCCC2
InChIInChI=1S/C17H27NO/c1-3-5-8-13(4-2)16(18)15-11-6-9-14-10-7-12-19-17(14)15/h6,9,11,13,16H,3-5,7-8,10,12,18H2,1-2H3
InChIKeyGXHLOCMOWWKIDF-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
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-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine
CID 114746248
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
CID 114746879
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
CID 114745351

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine (CID 105049013) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine is CCCCC(CC)C(N)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine?
The InChIKey is GXHLOCMOWWKIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-5-8-13(4-2)16(18)15-11-6-9-14-10-7-12-19-17(14)15/h6,9,11,13,16H,3-5,7-8,10,12,18H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.23, 6 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)-2-ethylhexan-1-amine is sourced from PubChem (CID 105049013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).