2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine

C17H20ClNO — CID 105350803

IUPAC2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine
SMILESCCc1cc(OCc2ccc(CCN)cc2)ccc1Cl
InChIInChI=1S/C17H20ClNO/c1-2-15-11-16(7-8-17(15)18)20-12-14-5-3-13(4-6-14)9-10-19/h3-8,11H,2,9-10,12,19H2,1H3
InChIKeyAIHXAJMFGJKYCM-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.98
Rot. Bonds6

About 2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine

2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine (PubChem CID 105350803) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine
PubChem CID105350803
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine
SMILESCCc1cc(OCc2ccc(CCN)cc2)ccc1Cl
InChIInChI=1S/C17H20ClNO/c1-2-15-11-16(7-8-17(15)18)20-12-14-5-3-13(4-6-14)9-10-19/h3-8,11H,2,9-10,12,19H2,1H3
InChIKeyAIHXAJMFGJKYCM-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908219
4-chloro-3-[(4-propylphenoxy)methyl]aniline
CID 55191486
2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353296
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
CID 114863101
2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine
CID 65496464
2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350932
[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]boronic acid
CID 63457430
2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353294
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine (CID 105350803) is 2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine is CCc1cc(OCc2ccc(CCN)cc2)ccc1Cl.
What is the InChIKey of 2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine?
The InChIKey is AIHXAJMFGJKYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-15-11-16(7-8-17(15)18)20-12-14-5-3-13(4-6-14)9-10-19/h3-8,11H,2,9-10,12,19H2,1H3.
What are the key properties of 2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine?
2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 105350803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).