2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine

C17H20ClNO — CID 105350387

IUPAC2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine
SMILESCc1cc(Cl)cc(C)c1OCc1ccc(CCN)cc1
InChIInChI=1S/C17H20ClNO/c1-12-9-16(18)10-13(2)17(12)20-11-15-5-3-14(4-6-15)7-8-19/h3-6,9-10H,7-8,11,19H2,1-2H3
InChIKeyMXPKXBPCSCZHJG-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.04
Rot. Bonds5

About 2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine

2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine (PubChem CID 105350387) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine
PubChem CID105350387
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine
SMILESCc1cc(Cl)cc(C)c1OCc1ccc(CCN)cc1
InChIInChI=1S/C17H20ClNO/c1-12-9-16(18)10-13(2)17(12)20-11-15-5-3-14(4-6-15)7-8-19/h3-6,9-10H,7-8,11,19H2,1-2H3
InChIKeyMXPKXBPCSCZHJG-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 63421326
2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 65477113
4-[(4-chloro-2,6-dimethylphenoxy)methyl]benzenecarbothioamide
CID 30052725
2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine
CID 105350788
2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
CID 107739438
N-[[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 63498001
1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
CID 60878557
5-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879803
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen
CID 157399619
[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine
CID 22688679
2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986660

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine (CID 105350387) is 2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine is Cc1cc(Cl)cc(C)c1OCc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine?
The InChIKey is MXPKXBPCSCZHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12-9-16(18)10-13(2)17(12)20-11-15-5-3-14(4-6-15)7-8-19/h3-6,9-10H,7-8,11,19H2,1-2H3.
What are the key properties of 2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine?
2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 105350387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).