4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C18H29NO — CID 104772524

IUPAC4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)CC1CCOc2ccccc21
InChIInChI=1S/C18H29NO/c1-14(2)13-19-10-8-15(3)12-16-9-11-20-18-7-5-4-6-17(16)18/h4-7,14-16,19H,8-13H2,1-3H3
InChIKeyGLKXMTCIMIUDLS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.21
Rot. Bonds7

About 4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 104772524) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID104772524
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)CC1CCOc2ccccc21
InChIInChI=1S/C18H29NO/c1-14(2)13-19-10-8-15(3)12-16-9-11-20-18-7-5-4-6-17(16)18/h4-7,14-16,19H,8-13H2,1-3H3
InChIKeyGLKXMTCIMIUDLS-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-N-propylbutan-1-amine
CID 104771888
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine
CID 81020255
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
CID 103169448
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide
CID 111662437

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 104772524) is 4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)CC1CCOc2ccccc21.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is GLKXMTCIMIUDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)13-19-10-8-15(3)12-16-9-11-20-18-7-5-4-6-17(16)18/h4-7,14-16,19H,8-13H2,1-3H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 104772524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).