2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine

C14H20ClNO — CID 65024077

IUPAC2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
SMILESClCCOCCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C14H20ClNO/c15-6-8-17-9-7-16-11-12-4-5-13-2-1-3-14(13)10-12/h4-5,10,16H,1-3,6-9,11H2
InChIKeySDNWQKGTOBOLMM-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.52
Rot. Bonds7

About 2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine

2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine (PubChem CID 65024077) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
PubChem CID65024077
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
SMILESClCCOCCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C14H20ClNO/c15-6-8-17-9-7-16-11-12-4-5-13-2-1-3-14(13)10-12/h4-5,10,16H,1-3,6-9,11H2
InChIKeySDNWQKGTOBOLMM-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.52
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

2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 103854378
5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine
CID 107319955
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
CID 82943032
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115660085
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
3-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1-thiol
CID 115224838
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine
CID 106844899
2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65023956
(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine
CID 115660114
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine
CID 60997427
3-(2-chloroethoxy)-N-[(4-chloro-3-fluorophenyl)methyl]propan-1-amine
CID 106306268

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
The IUPAC name of 2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine (CID 65024077) is 2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine is ClCCOCCNCc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
The InChIKey is SDNWQKGTOBOLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-6-8-17-9-7-16-11-12-4-5-13-2-1-3-14(13)10-12/h4-5,10,16H,1-3,6-9,11H2.
What are the key properties of 2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine has a molecular weight of 253.77 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine is sourced from PubChem (CID 65024077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).