2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine

C16H24ClNO — CID 106286562

IUPAC2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine
SMILESCCC(CC)C(Cl)CNCC1Cc2ccccc2O1
InChIInChI=1S/C16H24ClNO/c1-3-12(4-2)15(17)11-18-10-14-9-13-7-5-6-8-16(13)19-14/h5-8,12,14-15,18H,3-4,9-11H2,1-2H3
InChIKeyJJQVOTDRGFYRSQ-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.62
Rot. Bonds7

About 2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine

2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine (PubChem CID 106286562) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine
PubChem CID106286562
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine
SMILESCCC(CC)C(Cl)CNCC1Cc2ccccc2O1
InChIInChI=1S/C16H24ClNO/c1-3-12(4-2)15(17)11-18-10-14-9-13-7-5-6-8-16(13)19-14/h5-8,12,14-15,18H,3-4,9-11H2,1-2H3
InChIKeyJJQVOTDRGFYRSQ-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144599
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 54895983
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
N-butan-2-yl-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)acetamide
CID 54897709
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77030360
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine (CID 106286562) is 2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine is CCC(CC)C(Cl)CNCC1Cc2ccccc2O1.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine?
The InChIKey is JJQVOTDRGFYRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-12(4-2)15(17)11-18-10-14-9-13-7-5-6-8-16(13)19-14/h5-8,12,14-15,18H,3-4,9-11H2,1-2H3.
What are the key properties of 2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine?
2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine is sourced from PubChem (CID 106286562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).