N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine

C17H20ClNO — CID 115952890

IUPACN-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCCc1ccccc1
InChIInChI=1S/C17H20ClNO/c1-2-19-13-15-9-6-10-16(18)17(15)20-12-11-14-7-4-3-5-8-14/h3-10,19H,2,11-13H2,1H3
InChIKeyCFBVPDIZHIMECF-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.07
Rot. Bonds7

About N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine

N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine (PubChem CID 115952890) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine
PubChem CID115952890
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCCc1ccccc1
InChIInChI=1S/C17H20ClNO/c1-2-19-13-15-9-6-10-16(18)17(15)20-12-11-14-7-4-3-5-8-14/h3-10,19H,2,11-13H2,1H3
InChIKeyCFBVPDIZHIMECF-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine
CID 112609238
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
N-[[3-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]ethanamine
CID 103409133
N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115952940
N-[[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952900
N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 43276733
3-chloro-2-(2-phenylethoxy)aniline
CID 26189150
N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115953026
N-[[3-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999936
N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60893022
N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609295
N-[[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 115952959

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine (CID 115952890) is N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine is CCNCc1cccc(Cl)c1OCCc1ccccc1.
What is the InChIKey of N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine?
The InChIKey is CFBVPDIZHIMECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-19-13-15-9-6-10-16(18)17(15)20-12-11-14-7-4-3-5-8-14/h3-10,19H,2,11-13H2,1H3.
What are the key properties of N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine?
N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 115952890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).