N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline

C34H46BrN — CID 141463679

IUPACN-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline
SMILESCCCCCC(C)Cc1ccc(N(c2ccc(Br)cc2)c2ccc(CC(C)CCCCC)cc2)cc1
InChIInChI=1S/C34H46BrN/c1-5-7-9-11-27(3)25-29-13-19-32(20-14-29)36(34-23-17-31(35)18-24-34)33-21-15-30(16-22-33)26-28(4)12-10-8-6-2/h13-24,27-28H,5-12,25-26H2,1-4H3
InChIKeyCIJHNHGSMNCGMV-UHFFFAOYSA-N
MW548.65 g/mol
LogP11.44
Rot. Bonds15

About N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline

N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline (PubChem CID 141463679) has the molecular formula C34H46BrN and a molecular weight of 548.65 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline
PubChem CID141463679
Molecular FormulaC34H46BrN
Molecular Weight548.65 g/mol
Exact Mass547.28
IUPAC NameN-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline
SMILESCCCCCC(C)Cc1ccc(N(c2ccc(Br)cc2)c2ccc(CC(C)CCCCC)cc2)cc1
InChIInChI=1S/C34H46BrN/c1-5-7-9-11-27(3)25-29-13-19-32(20-14-29)36(34-23-17-31(35)18-24-34)33-21-15-30(16-22-33)26-28(4)12-10-8-6-2/h13-24,27-28H,5-12,25-26H2,1-4H3
InChIKeyCIJHNHGSMNCGMV-UHFFFAOYSA-N
XLogP11.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-4-(6-methylheptyl)-N-[4-(6-methylheptyl)phenyl]aniline
CID 141463678
ethane;2-methylheptylbenzene
CID 142204161
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride
CID 160507683
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
1-bromo-4-[2-(bromomethyl)decyl]benzene
CID 66042495
N-(4-bromophenyl)-N-(4-decan-2-yloxyphenyl)-4-methoxyaniline
CID 123513579
2-[(4-bromophenyl)methyl]tridecane-1-thiol;hydrochloride
CID 173007185
4-(2-methyltridecyl)benzenesulfonic acid
CID 101088277
2-[(4-bromophenyl)methyl]-N-methylundecan-1-amine
CID 63521360
sodium 4-(2-methylundecyl)benzenesulfonate
CID 101088280
1-bromo-4-[2-(bromomethyl)hexyl]benzene
CID 66040689

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline?
The IUPAC name of N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline (CID 141463679) is N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline.
What is the SMILES notation for N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline?
The canonical SMILES for N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline is CCCCCC(C)Cc1ccc(N(c2ccc(Br)cc2)c2ccc(CC(C)CCCCC)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline?
The InChIKey is CIJHNHGSMNCGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46BrN/c1-5-7-9-11-27(3)25-29-13-19-32(20-14-29)36(34-23-17-31(35)18-24-34)33-21-15-30(16-22-33)26-28(4)12-10-8-6-2/h13-24,27-28H,5-12,25-26H2,1-4H3.
What are the key properties of N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline?
N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline has a molecular weight of 548.65 g/mol, XLogP of 11.44, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline is sourced from PubChem (CID 141463679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).