N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline

C22H22ClNO — CID 126121696

IUPACN-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
SMILESCCc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C22H22ClNO/c1-2-17-7-11-20(12-8-17)24-15-18-9-13-21(14-10-18)25-16-19-5-3-4-6-22(19)23/h3-14,24H,2,15-16H2,1H3
InChIKeyRLQWIIBNZXEQLI-UHFFFAOYSA-N
MW351.88 g/mol
LogP6.09
Rot. Bonds7

About N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline

N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline (PubChem CID 126121696) has the molecular formula C22H22ClNO and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
PubChem CID126121696
Molecular FormulaC22H22ClNO
Molecular Weight351.88 g/mol
Exact Mass351.14
IUPAC NameN-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
SMILESCCc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C22H22ClNO/c1-2-17-7-11-20(12-8-17)24-15-18-9-13-21(14-10-18)25-16-19-5-3-4-6-22(19)23/h3-14,24H,2,15-16H2,1H3
InChIKeyRLQWIIBNZXEQLI-UHFFFAOYSA-N
XLogP6.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.88
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126186662
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121410
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
CID 126121641
(2S)-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726660
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717043
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
1-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385676
4-butoxy-N-[(2-chlorophenyl)methyl]aniline
CID 54798799
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-4-ethylaniline
CID 126125791
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126141207
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
The IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline (CID 126121696) is N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline.
What is the SMILES notation for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
The canonical SMILES for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline is CCc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1.
What is the InChIKey of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
The InChIKey is RLQWIIBNZXEQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO/c1-2-17-7-11-20(12-8-17)24-15-18-9-13-21(14-10-18)25-16-19-5-3-4-6-22(19)23/h3-14,24H,2,15-16H2,1H3.
What are the key properties of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline has a molecular weight of 351.88 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline is sourced from PubChem (CID 126121696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).