N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline

C26H30BrNO2 — CID 53438256

IUPACN-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline
SMILESCCCCOc1ccc(N(c2ccc(Br)cc2)c2ccc(OCCCC)cc2)cc1
InChIInChI=1S/C26H30BrNO2/c1-3-5-19-29-25-15-11-23(12-16-25)28(22-9-7-21(27)8-10-22)24-13-17-26(18-14-24)30-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3
InChIKeyFGVGUBFOFAQQPG-UHFFFAOYSA-N
MW468.44 g/mol
LogP8.28
Rot. Bonds11

About N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline

N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline (PubChem CID 53438256) has the molecular formula C26H30BrNO2 and a molecular weight of 468.44 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline
PubChem CID53438256
Molecular FormulaC26H30BrNO2
Molecular Weight468.44 g/mol
Exact Mass467.15
IUPAC NameN-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline
SMILESCCCCOc1ccc(N(c2ccc(Br)cc2)c2ccc(OCCCC)cc2)cc1
InChIInChI=1S/C26H30BrNO2/c1-3-5-19-29-25-15-11-23(12-16-25)28(22-9-7-21(27)8-10-22)24-13-17-26(18-14-24)30-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3
InChIKeyFGVGUBFOFAQQPG-UHFFFAOYSA-N
XLogP8.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.44
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
N-(4-bromophenyl)-4-(2,4-dibutoxyphenyl)-N-[4-(2,4-dibutoxyphenyl)phenyl]aniline
CID 162394350
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788
1-[2,4-bis(4-bromophenyl)-3-(4-tetradecoxyphenyl)cyclobutyl]-4-tetradecoxybenzene
CID 100947550
N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline
CID 90278077
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
1-bromo-4-(2-pentylsulfanylethoxy)benzene
CID 107754232
6-(4-bromophenoxy)hexyl-butylazanium
CID 2249695
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline?
The IUPAC name of N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline (CID 53438256) is N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline.
What is the SMILES notation for N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline?
The canonical SMILES for N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline is CCCCOc1ccc(N(c2ccc(Br)cc2)c2ccc(OCCCC)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline?
The InChIKey is FGVGUBFOFAQQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30BrNO2/c1-3-5-19-29-25-15-11-23(12-16-25)28(22-9-7-21(27)8-10-22)24-13-17-26(18-14-24)30-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline?
N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline has a molecular weight of 468.44 g/mol, XLogP of 8.28, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline is sourced from PubChem (CID 53438256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).