N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine

C15H23NO — CID 43804174

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
SMILESCCCCCCNCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO/c1-2-3-4-5-9-16-12-13-6-7-15-14(11-13)8-10-17-15/h6-7,11,16H,2-5,8-10,12H2,1H3
InChIKeyBRHHFKLNRGUYQK-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.29
Rot. Bonds7

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine (PubChem CID 43804174) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
PubChem CID43804174
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
SMILESCCCCCCNCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO/c1-2-3-4-5-9-16-12-13-6-7-15-14(11-13)8-10-17-15/h6-7,11,16H,2-5,8-10,12H2,1H3
InChIKeyBRHHFKLNRGUYQK-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine
CID 104923166
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine
CID 103701656
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)butan-2-one
CID 115235717
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 60923933
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351788
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylaniline
CID 43804179
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol
CID 62060184
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 43804102

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine (CID 43804174) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine is CCCCCCNCc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine?
The InChIKey is BRHHFKLNRGUYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-4-5-9-16-12-13-6-7-15-14(11-13)8-10-17-15/h6-7,11,16H,2-5,8-10,12H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine is sourced from PubChem (CID 43804174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).