N-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride

C12H16Cl3NO — CID 17371091

IUPACN-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
SMILESCl.Clc1ccc(CNCC2CCCO2)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO.ClH/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11;/h3-4,6,11,15H,1-2,5,7-8H2;1H
InChIKeySTLSOQKIOIXNPA-UHFFFAOYSA-N
MW296.62 g/mol
LogP3.68
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride

N-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride (PubChem CID 17371091) has the molecular formula C12H16Cl3NO and a molecular weight of 296.62 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
PubChem CID17371091
Molecular FormulaC12H16Cl3NO
Molecular Weight296.62 g/mol
Exact Mass295.03
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
SMILESCl.Clc1ccc(CNCC2CCCO2)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO.ClH/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11;/h3-4,6,11,15H,1-2,5,7-8H2;1H
InChIKeySTLSOQKIOIXNPA-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride (CID 17371091) is N-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride is Cl.Clc1ccc(CNCC2CCCO2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The InChIKey is STLSOQKIOIXNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO.ClH/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11;/h3-4,6,11,15H,1-2,5,7-8H2;1H.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
N-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride has a molecular weight of 296.62 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 17371091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).