1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine

C17H20ClNO — CID 115649377

IUPAC1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
SMILESCCc1ccc(COc2ccc(C(C)N)cc2Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-3-13-4-6-14(7-5-13)11-20-17-9-8-15(12(2)19)10-16(17)18/h4-10,12H,3,11,19H2,1-2H3
InChIKeyVTSAJMHAZFPVPK-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.50
Rot. Bonds5

About 1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine

1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine (PubChem CID 115649377) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
PubChem CID115649377
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
SMILESCCc1ccc(COc2ccc(C(C)N)cc2Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-3-13-4-6-14(7-5-13)11-20-17-9-8-15(12(2)19)10-16(17)18/h4-10,12H,3,11,19H2,1-2H3
InChIKeyVTSAJMHAZFPVPK-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-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 112693380
1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 62911731
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389810
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615294
1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine
CID 82550716
1-(3-chloro-4-hexoxyphenyl)ethanamine
CID 55130353
(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 63367548
4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene
CID 19088824
(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 78937702
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine (CID 115649377) is 1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine is CCc1ccc(COc2ccc(C(C)N)cc2Cl)cc1.
What is the InChIKey of 1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is VTSAJMHAZFPVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-13-4-6-14(7-5-13)11-20-17-9-8-15(12(2)19)10-16(17)18/h4-10,12H,3,11,19H2,1-2H3.
What are the key properties of 1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine?
1-[3-chloro-4-[(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-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 115649377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).