5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine

C18H29NO — CID 65304087

IUPAC5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCC(C)CCc1ccc2c(c1)COC2
InChIInChI=1S/C18H29NO/c1-14(2)11-19-9-8-15(3)4-5-16-6-7-17-12-20-13-18(17)10-16/h6-7,10,14-15,19H,4-5,8-9,11-13H2,1-3H3
InChIKeyLFUVNVCTCYLWFN-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.92
Rot. Bonds8

About 5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine

5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 65304087) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID65304087
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCC(C)CCc1ccc2c(c1)COC2
InChIInChI=1S/C18H29NO/c1-14(2)11-19-9-8-15(3)4-5-16-6-7-17-12-20-13-18(17)10-16/h6-7,10,14-15,19H,4-5,8-9,11-13H2,1-3H3
InChIKeyLFUVNVCTCYLWFN-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.92
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

3-methyl-N-(2-methylpropyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 65305015
5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 115483386
N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65308449
6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine
CID 65306411
5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65305044
4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 65303583
5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine
CID 65304136
4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665023
5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65303779
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine
CID 64663973
4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81018871
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
CID 64867069

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine (CID 65304087) is 5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCC(C)CCc1ccc2c(c1)COC2.
What is the InChIKey of 5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is LFUVNVCTCYLWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)11-19-9-8-15(3)4-5-16-6-7-17-12-20-13-18(17)10-16/h6-7,10,14-15,19H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of 5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 65304087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).