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

C26H30BrNO2 — CID 90278077

IUPACN-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline
SMILESCC(C)COc1ccc(N(c2ccc(Br)cc2)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C26H30BrNO2/c1-19(2)17-29-25-13-9-23(10-14-25)28(22-7-5-21(27)6-8-22)24-11-15-26(16-12-24)30-18-20(3)4/h5-16,19-20H,17-18H2,1-4H3
InChIKeyQUIUTIVEECLIFH-UHFFFAOYSA-N
MW468.44 g/mol
LogP7.99
Rot. Bonds9

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

N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline (PubChem CID 90278077) has the molecular formula C26H30BrNO2 and a molecular weight of 468.44 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline
PubChem CID90278077
Molecular FormulaC26H30BrNO2
Molecular Weight468.44 g/mol
Exact Mass467.15
IUPAC NameN-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline
SMILESCC(C)COc1ccc(N(c2ccc(Br)cc2)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C26H30BrNO2/c1-19(2)17-29-25-13-9-23(10-14-25)28(22-7-5-21(27)6-8-22)24-11-15-26(16-12-24)30-18-20(3)4/h5-16,19-20H,17-18H2,1-4H3
InChIKeyQUIUTIVEECLIFH-UHFFFAOYSA-N
XLogP7.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.44
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline
CID 58701260
N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline
CID 53438256
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
(2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine
CID 161260305
CID 158520478
CID 158520478
N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4929974
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
1-bromo-4-[(4S)-4-methylhexoxy]benzene
CID 14692508
1-bromo-4-[2-(bromomethyl)pentoxy]benzene
CID 65010976
3-[N-ethyl-4-(2-methylpropoxy)anilino]propanoic acid
CID 82318812
[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-pentan-3-ylazanium
CID 2502096

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline?
The IUPAC name of N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline (CID 90278077) is N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline.
What is the SMILES notation for N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline?
The canonical SMILES for N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline is CC(C)COc1ccc(N(c2ccc(Br)cc2)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline?
The InChIKey is QUIUTIVEECLIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30BrNO2/c1-19(2)17-29-25-13-9-23(10-14-25)28(22-7-5-21(27)6-8-22)24-11-15-26(16-12-24)30-18-20(3)4/h5-16,19-20H,17-18H2,1-4H3.
What are the key properties of N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline?
N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline has a molecular weight of 468.44 g/mol, XLogP of 7.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline is sourced from PubChem (CID 90278077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).