N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline

C24H35NO2 — CID 54799985

IUPACN-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline
SMILESCCC(CNc1ccccc1OCC(C)C)Oc1ccccc1C(C)CC
InChIInChI=1S/C24H35NO2/c1-6-19(5)21-12-8-10-14-23(21)27-20(7-2)16-25-22-13-9-11-15-24(22)26-17-18(3)4/h8-15,18-20,25H,6-7,16-17H2,1-5H3
InChIKeyRINCFTLCJLXWCL-UHFFFAOYSA-N
MW369.55 g/mol
LogP6.50
Rot. Bonds11

About N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline

N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline (PubChem CID 54799985) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline
PubChem CID54799985
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC NameN-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline
SMILESCCC(CNc1ccccc1OCC(C)C)Oc1ccccc1C(C)CC
InChIInChI=1S/C24H35NO2/c1-6-19(5)21-12-8-10-14-23(21)27-20(7-2)16-25-22-13-9-11-15-24(22)26-17-18(3)4/h8-15,18-20,25H,6-7,16-17H2,1-5H3
InChIKeyRINCFTLCJLXWCL-UHFFFAOYSA-N
XLogP6.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-butan-2-ylphenoxy)butyl]-2-(oxolan-2-ylmethoxy)aniline
CID 54803003
N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline
CID 54800392
2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine
CID 54797379
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline
CID 54798092
N-[(2S)-2-[2-[(2R)-butan-2-yl]phenoxy]butyl]hexadecan-1-amine
CID 98044703
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-butoxyaniline
CID 54801693
N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 63453225
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632
2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
CID 54798619
N-[2-(2-butan-2-ylphenoxy)ethyl]-4-(2-methylpropoxy)aniline
CID 54799143
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 5000223

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline?
The IUPAC name of N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline (CID 54799985) is N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline.
What is the SMILES notation for N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline?
The canonical SMILES for N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline is CCC(CNc1ccccc1OCC(C)C)Oc1ccccc1C(C)CC.
What is the InChIKey of N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline?
The InChIKey is RINCFTLCJLXWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-6-19(5)21-12-8-10-14-23(21)27-20(7-2)16-25-22-13-9-11-15-24(22)26-17-18(3)4/h8-15,18-20,25H,6-7,16-17H2,1-5H3.
What are the key properties of N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline?
N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline has a molecular weight of 369.55 g/mol, XLogP of 6.50, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 54799985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).