N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride

C16H19Cl2NO — CID 17290745

IUPACN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ccc(OCc2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C16H18ClNO.ClH/c1-2-18-11-13-5-9-16(10-6-13)19-12-14-3-7-15(17)8-4-14;/h3-10,18H,2,11-12H2,1H3;1H
InChIKeyZOBGELRNHKRUHW-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.45
Rot. Bonds6

About N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride (PubChem CID 17290745) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
PubChem CID17290745
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ccc(OCc2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C16H18ClNO.ClH/c1-2-18-11-13-5-9-16(10-6-13)19-12-14-3-7-15(17)8-4-14;/h3-10,18H,2,11-12H2,1H3;1H
InChIKeyZOBGELRNHKRUHW-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17290395
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
CID 17292549
N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
CID 65499942
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720085
acetic acid;2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 45100113
N',N'-dibutyl-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214465
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol
CID 17211516
N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125152
N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 107742064

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride (CID 17290745) is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride is CCNCc1ccc(OCc2ccc(Cl)cc2)cc1.Cl.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride?
The InChIKey is ZOBGELRNHKRUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO.ClH/c1-2-18-11-13-5-9-16(10-6-13)19-12-14-3-7-15(17)8-4-14;/h3-10,18H,2,11-12H2,1H3;1H.
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride?
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride has a molecular weight of 312.24 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17290745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).