N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride

C19H21Cl2N — CID 45356250

IUPACN-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride
SMILESCCN(CCCl)Cc1c2ccccc2cc2ccccc12.Cl
InChIInChI=1S/C19H20ClN.ClH/c1-2-21(12-11-20)14-19-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)19;/h3-10,13H,2,11-12,14H2,1H3;1H
InChIKeySLZBOMOEUONUBF-UHFFFAOYSA-N
MW334.29 g/mol
LogP5.48
Rot. Bonds5

About N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride

N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride (PubChem CID 45356250) has the molecular formula C19H21Cl2N and a molecular weight of 334.29 g/mol. Its IUPAC name is N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride.

Molecular Properties

Compound NameN-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride
PubChem CID45356250
Molecular FormulaC19H21Cl2N
Molecular Weight334.29 g/mol
Exact Mass333.11
IUPAC NameN-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride
SMILESCCN(CCCl)Cc1c2ccccc2cc2ccccc12.Cl
InChIInChI=1S/C19H20ClN.ClH/c1-2-21(12-11-20)14-19-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)19;/h3-10,13H,2,11-12,14H2,1H3;1H
InChIKeySLZBOMOEUONUBF-UHFFFAOYSA-N
XLogP5.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.29
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride?
The IUPAC name of N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride (CID 45356250) is N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride.
What is the SMILES notation for N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride?
The canonical SMILES for N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride is CCN(CCCl)Cc1c2ccccc2cc2ccccc12.Cl.
What is the InChIKey of N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride?
The InChIKey is SLZBOMOEUONUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN.ClH/c1-2-21(12-11-20)14-19-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)19;/h3-10,13H,2,11-12,14H2,1H3;1H.
What are the key properties of N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride?
N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride has a molecular weight of 334.29 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride is sourced from PubChem (CID 45356250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).