4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline

C21H26FNO — CID 54801973

IUPAC4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(OCCC3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26FNO/c22-19-8-6-18(7-9-19)16-23-20-10-12-21(13-11-20)24-15-14-17-4-2-1-3-5-17/h6-13,17,23H,1-5,14-16H2
InChIKeyKGSQDGREQZDQJC-UHFFFAOYSA-N
MW327.44 g/mol
LogP5.79
Rot. Bonds7

About 4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline

4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline (PubChem CID 54801973) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline
PubChem CID54801973
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(OCCC3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26FNO/c22-19-8-6-18(7-9-19)16-23-20-10-12-21(13-11-20)24-15-14-17-4-2-1-3-5-17/h6-13,17,23H,1-5,14-16H2
InChIKeyKGSQDGREQZDQJC-UHFFFAOYSA-N
XLogP5.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.44
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyclohexylethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54802002
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179
4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline
CID 54801991
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
CID 54796471
4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
CID 60942297
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
N-(2-cyclohexylethyl)-4-hexoxyaniline
CID 83961487
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-(trifluoromethoxy)aniline
CID 4663581
2-(4-chlorophenyl)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide
CID 17137705
N-[4-[4-[(4-fluoroanilino)methyl]phenoxy]butyl]pyrimidin-2-amine
CID 173253406
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-(2-cyclohexylethoxy)aniline
CID 54802030

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline?
The IUPAC name of 4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline (CID 54801973) is 4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline.
What is the SMILES notation for 4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline?
The canonical SMILES for 4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline is Fc1ccc(CNc2ccc(OCCC3CCCCC3)cc2)cc1.
What is the InChIKey of 4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline?
The InChIKey is KGSQDGREQZDQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c22-19-8-6-18(7-9-19)16-23-20-10-12-21(13-11-20)24-15-14-17-4-2-1-3-5-17/h6-13,17,23H,1-5,14-16H2.
What are the key properties of 4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline?
4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline has a molecular weight of 327.44 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline is sourced from PubChem (CID 54801973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).