1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine

C17H20ClNO — CID 62073872

IUPAC1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
SMILESCCc1ccc(COc2ccc(Cl)cc2C(C)N)cc1
InChIInChI=1S/C17H20ClNO/c1-3-13-4-6-14(7-5-13)11-20-17-9-8-15(18)10-16(17)12(2)19/h4-10,12H,3,11,19H2,1-2H3
InChIKeyLHMAGOOZWMNZJT-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.50
Rot. Bonds5

About 1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine

1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine (PubChem CID 62073872) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
PubChem CID62073872
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
SMILESCCc1ccc(COc2ccc(Cl)cc2C(C)N)cc1
InChIInChI=1S/C17H20ClNO/c1-3-13-4-6-14(7-5-13)11-20-17-9-8-15(18)10-16(17)12(2)19/h4-10,12H,3,11,19H2,1-2H3
InChIKeyLHMAGOOZWMNZJT-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
(1S)-1-[2-[(4-ethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936783
(1S)-1-[5-chloro-2-[(3,4-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78932855
1-[5-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107879124
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine
CID 63366602
(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880442
1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63485360
1-[5-chloro-2-(phenylmethoxymethoxy)phenyl]ethanamine
CID 102939463

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine (CID 62073872) is 1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine is CCc1ccc(COc2ccc(Cl)cc2C(C)N)cc1.
What is the InChIKey of 1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is LHMAGOOZWMNZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-13-4-6-14(7-5-13)11-20-17-9-8-15(18)10-16(17)12(2)19/h4-10,12H,3,11,19H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine?
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 62073872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).