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

C17H20ClNO — CID 115952978

IUPACN-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCc1ccccc1C
InChIInChI=1S/C17H20ClNO/c1-3-19-11-14-9-6-10-16(18)17(14)20-12-15-8-5-4-7-13(15)2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyRRDYUXFMDZCXOU-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.34
Rot. Bonds6

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

N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 115952978) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID115952978
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCc1ccccc1C
InChIInChI=1S/C17H20ClNO/c1-3-19-11-14-9-6-10-16(18)17(14)20-12-15-8-5-4-7-13(15)2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyRRDYUXFMDZCXOU-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952900
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115953026
N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 114319014
N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609295
N-[[3-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 112609309
N-[[3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609244
N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499927
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952569
N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 115952890
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609256

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine (CID 115952978) is N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(Cl)c1OCc1ccccc1C.
What is the InChIKey of N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is RRDYUXFMDZCXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-19-11-14-9-6-10-16(18)17(14)20-12-15-8-5-4-7-13(15)2/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine?
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.34, 6 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-methylphenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 115952978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).