N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline

C22H21ClFNO — CID 126126042

IUPACN-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
SMILESCCc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1
InChIInChI=1S/C22H21ClFNO/c1-2-16-6-9-20(10-7-16)25-14-17-8-11-22(21(23)13-17)26-15-18-4-3-5-19(24)12-18/h3-13,25H,2,14-15H2,1H3
InChIKeyXRYVDDHQNQZWSU-UHFFFAOYSA-N
MW369.87 g/mol
LogP6.23
Rot. Bonds7

About N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline

N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline (PubChem CID 126126042) has the molecular formula C22H21ClFNO and a molecular weight of 369.87 g/mol. Its IUPAC name is N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
PubChem CID126126042
Molecular FormulaC22H21ClFNO
Molecular Weight369.87 g/mol
Exact Mass369.13
IUPAC NameN-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
SMILESCCc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1
InChIInChI=1S/C22H21ClFNO/c1-2-16-6-9-20(10-7-16)25-14-17-8-11-22(21(23)13-17)26-15-18-4-3-5-19(24)12-18/h3-13,25H,2,14-15H2,1H3
InChIKeyXRYVDDHQNQZWSU-UHFFFAOYSA-N
XLogP6.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121126
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126125272
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126119858
4-chloro-N-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]aniline
CID 3348285
3-chloro-N-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-methylaniline
CID 126115607
2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 3999969
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126211661
3-chloro-4-(difluoromethoxy)-N-[(3-fluorophenyl)methyl]aniline
CID 28553815
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[(3-fluorophenyl)methoxy]aniline
CID 168584076
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126202114

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
The IUPAC name of N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline (CID 126126042) is N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline.
What is the SMILES notation for N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
The canonical SMILES for N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline is CCc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1.
What is the InChIKey of N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
The InChIKey is XRYVDDHQNQZWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFNO/c1-2-16-6-9-20(10-7-16)25-14-17-8-11-22(21(23)13-17)26-15-18-4-3-5-19(24)12-18/h3-13,25H,2,14-15H2,1H3.
What are the key properties of N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline has a molecular weight of 369.87 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline is sourced from PubChem (CID 126126042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).