N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline

C22H30FNO — CID 138518679

IUPACN-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline
SMILESCCCCCCCCN(Cc1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H30FNO/c1-3-4-5-6-7-8-17-24(18-19-9-11-20(23)12-10-19)21-13-15-22(25-2)16-14-21/h9-16H,3-8,17-18H2,1-2H3
InChIKeyULMIZJUSMQODFC-UHFFFAOYSA-N
MW343.49 g/mol
LogP6.20
Rot. Bonds11

About N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline

N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline (PubChem CID 138518679) has the molecular formula C22H30FNO and a molecular weight of 343.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline
PubChem CID138518679
Molecular FormulaC22H30FNO
Molecular Weight343.49 g/mol
Exact Mass343.23
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline
SMILESCCCCCCCCN(Cc1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H30FNO/c1-3-4-5-6-7-8-17-24(18-19-9-11-20(23)12-10-19)21-13-15-22(25-2)16-14-21/h9-16H,3-8,17-18H2,1-2H3
InChIKeyULMIZJUSMQODFC-UHFFFAOYSA-N
XLogP6.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-hexyl-4-methoxyaniline
CID 154621350
N-hexyl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 138518673
4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline
CID 154621185
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
N-hexyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline
CID 138347503
4-methoxy-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-N-octylaniline
CID 142550061
4-fluoro-N,N-dioctylaniline
CID 91747748
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N-butyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline
CID 138347461
N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline
CID 154621195
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
N,N-dibutyl-4-fluoroaniline
CID 15399711

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline (CID 138518679) is N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline is CCCCCCCCN(Cc1ccc(F)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline?
The InChIKey is ULMIZJUSMQODFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO/c1-3-4-5-6-7-8-17-24(18-19-9-11-20(23)12-10-19)21-13-15-22(25-2)16-14-21/h9-16H,3-8,17-18H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline?
N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline has a molecular weight of 343.49 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline is sourced from PubChem (CID 138518679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).