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

C15H22ClNO — CID 114008270

IUPAC6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
SMILESClCCCCCCNCC1COc2ccccc21
InChIInChI=1S/C15H22ClNO/c16-9-5-1-2-6-10-17-11-13-12-18-15-8-4-3-7-14(13)15/h3-4,7-8,13,17H,1-2,5-6,9-12H2
InChIKeyGPVFPGWXLBIFNU-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.55
Rot. Bonds8

About 6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine

6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine (PubChem CID 114008270) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
PubChem CID114008270
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
SMILESClCCCCCCNCC1COc2ccccc21
InChIInChI=1S/C15H22ClNO/c16-9-5-1-2-6-10-17-11-13-12-18-15-8-4-3-7-14(13)15/h3-4,7-8,13,17H,1-2,5-6,9-12H2
InChIKeyGPVFPGWXLBIFNU-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
CID 107320375
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
CID 79225953
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 79226994
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 114757554
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79229528

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine (CID 114008270) is 6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine is ClCCCCCCNCC1COc2ccccc21.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine?
The InChIKey is GPVFPGWXLBIFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-9-5-1-2-6-10-17-11-13-12-18-15-8-4-3-7-14(13)15/h3-4,7-8,13,17H,1-2,5-6,9-12H2.
What are the key properties of 6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine?
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine is sourced from PubChem (CID 114008270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).