N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine

C16H18ClNO — CID 4716552

IUPACN-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-2-18-11-14-10-15(17)8-9-16(14)19-12-13-6-4-3-5-7-13/h3-10,18H,2,11-12H2,1H3
InChIKeyILCUIINEXPMZHF-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.03
Rot. Bonds6

About N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine

N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 4716552) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID4716552
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-2-18-11-14-10-15(17)8-9-16(14)19-12-13-6-4-3-5-7-13/h3-10,18H,2,11-12H2,1H3
InChIKeyILCUIINEXPMZHF-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215547
N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine
CID 102939430
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720934
3-[[4-chloro-2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
CID 60882575
N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 103037797
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine
CID 4717131
N',N'-dibutyl-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]propane-1,3-diamine
CID 17214610
N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 43646629

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine (CID 4716552) is N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine is CCNCc1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is ILCUIINEXPMZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-2-18-11-14-10-15(17)8-9-16(14)19-12-13-6-4-3-5-7-13/h3-10,18H,2,11-12H2,1H3.
What are the key properties of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine?
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 4716552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).