N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine

C19H22BrNO — CID 91228005

IUPACN-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine
SMILESCCCC(C)COc1ccccc1/C=N/c1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO/c1-3-6-15(2)14-22-19-8-5-4-7-16(19)13-21-18-11-9-17(20)10-12-18/h4-5,7-13,15H,3,6,14H2,1-2H3/b21-13+
InChIKeyGNMPABKELHBEED-FYJGNVAPSA-N
MW360.30 g/mol
LogP6.01
Rot. Bonds7

About N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine

N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine (PubChem CID 91228005) has the molecular formula C19H22BrNO and a molecular weight of 360.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine
PubChem CID91228005
Molecular FormulaC19H22BrNO
Molecular Weight360.30 g/mol
Exact Mass359.09
IUPAC NameN-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine
SMILESCCCC(C)COc1ccccc1/C=N/c1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO/c1-3-6-15(2)14-22-19-8-5-4-7-16(19)13-21-18-11-9-17(20)10-12-18/h4-5,7-13,15H,3,6,14H2,1-2H3/b21-13+
InChIKeyGNMPABKELHBEED-FYJGNVAPSA-N
XLogP6.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.30
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpentoxy)aniline
CID 45075234
1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 693656
N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine
CID 14715139
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049
2-(2-methylpentoxy)benzonitrile
CID 62265352
N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine
CID 3388705
2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
1-[2-(2-methylpentoxy)phenyl]ethanone
CID 62266405
2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine
CID 62264353
3-methoxy-2-(2-methylpentoxy)benzaldehyde
CID 62265011
2-bromo-6-(2-methylpentoxy)benzoic acid
CID 103285847

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine?
The IUPAC name of N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine (CID 91228005) is N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine is CCCC(C)COc1ccccc1/C=N/c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine?
The InChIKey is GNMPABKELHBEED-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H22BrNO/c1-3-6-15(2)14-22-19-8-5-4-7-16(19)13-21-18-11-9-17(20)10-12-18/h4-5,7-13,15H,3,6,14H2,1-2H3/b21-13+.
What are the key properties of N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine?
N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine has a molecular weight of 360.30 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine is sourced from PubChem (CID 91228005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).