2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride

C19H21Cl3N2O — CID 11661283

IUPAC2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride
SMILESCl.ClCCN(CCCl)CCOc1cccc2cc3ccccc3nc12
InChIInChI=1S/C19H20Cl2N2O.ClH/c20-8-10-23(11-9-21)12-13-24-18-7-3-5-16-14-15-4-1-2-6-17(15)22-19(16)18;/h1-7,14H,8-13H2;1H
InChIKeyWXWOFABZUVTVHC-UHFFFAOYSA-N
MW399.75 g/mol
LogP4.97
Rot. Bonds8

About 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride

2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride (PubChem CID 11661283) has the molecular formula C19H21Cl3N2O and a molecular weight of 399.75 g/mol. Its IUPAC name is 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride
PubChem CID11661283
Molecular FormulaC19H21Cl3N2O
Molecular Weight399.75 g/mol
Exact Mass398.07
IUPAC Name2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride
SMILESCl.ClCCN(CCCl)CCOc1cccc2cc3ccccc3nc12
InChIInChI=1S/C19H20Cl2N2O.ClH/c20-8-10-23(11-9-21)12-13-24-18-7-3-5-16-14-15-4-1-2-6-17(15)22-19(16)18;/h1-7,14H,8-13H2;1H
InChIKeyWXWOFABZUVTVHC-UHFFFAOYSA-N
XLogP4.97
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.75
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

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CID 24847300
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N-(2-chloroethyl)-N-[2-(2-methoxyphenoxy)ethyl]-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 3048671
[3-amino-5-[[4-[4-[bis(2-chloroethyl)amino]butoxy]acridin-9-yl]amino]phenyl]methanol;hydrochloride
CID 11592180
N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride
CID 24843959
1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]phenyl]butan-1-one
CID 3788085
1-(3-chloropropoxy)naphthalene
CID 12685615
8-(6-chlorohexoxy)quinoline
CID 62228191
acridine;ethane
CID 123684759
acridine
CID 21226281
1-decoxyacridine
CID 159660851
N-(2-phenazin-1-yloxyethyl)propan-2-amine
CID 97034334

Frequently Asked Questions

What is the IUPAC name of 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride?
The IUPAC name of 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride (CID 11661283) is 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride is Cl.ClCCN(CCCl)CCOc1cccc2cc3ccccc3nc12.
What is the InChIKey of 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride?
The InChIKey is WXWOFABZUVTVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O.ClH/c20-8-10-23(11-9-21)12-13-24-18-7-3-5-16-14-15-4-1-2-6-17(15)22-19(16)18;/h1-7,14H,8-13H2;1H.
What are the key properties of 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride?
2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride has a molecular weight of 399.75 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride is sourced from PubChem (CID 11661283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).