N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine

C15H20ClNO — CID 114757554

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine
SMILESClCCC1(CNCC2COc3ccccc32)CC1
InChIInChI=1S/C15H20ClNO/c16-8-7-15(5-6-15)11-17-9-12-10-18-14-4-2-1-3-13(12)14/h1-4,12,17H,5-11H2
InChIKeyJUHNKGKGIHFIKN-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.16
Rot. Bonds6

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine (PubChem CID 114757554) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine
PubChem CID114757554
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine
SMILESClCCC1(CNCC2COc3ccccc32)CC1
InChIInChI=1S/C15H20ClNO/c16-8-7-15(5-6-15)11-17-9-12-10-18-14-4-2-1-3-13(12)14/h1-4,12,17H,5-11H2
InChIKeyJUHNKGKGIHFIKN-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine
CID 79229912
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-3-amine
CID 79229605
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 79229598
5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
CID 107320375
1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 79226899
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine
CID 80600514

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine (CID 114757554) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine is ClCCC1(CNCC2COc3ccccc32)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine?
The InChIKey is JUHNKGKGIHFIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-8-7-15(5-6-15)11-17-9-12-10-18-14-4-2-1-3-13(12)14/h1-4,12,17H,5-11H2.
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine has a molecular weight of 265.78 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 114757554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).