N-(3-methylbutan-2-yl)-4-phenoxyaniline

C17H21NO — CID 43111618

IUPACN-(3-methylbutan-2-yl)-4-phenoxyaniline
SMILESCC(C)C(C)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-13(2)14(3)18-15-9-11-17(12-10-15)19-16-7-5-4-6-8-16/h4-14,18H,1-3H3
InChIKeyIQEDHOVSLPUVKV-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.94
Rot. Bonds5

About N-(3-methylbutan-2-yl)-4-phenoxyaniline

N-(3-methylbutan-2-yl)-4-phenoxyaniline (PubChem CID 43111618) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-4-phenoxyaniline.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-4-phenoxyaniline
PubChem CID43111618
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-(3-methylbutan-2-yl)-4-phenoxyaniline
SMILESCC(C)C(C)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-13(2)14(3)18-15-9-11-17(12-10-15)19-16-7-5-4-6-8-16/h4-14,18H,1-3H3
InChIKeyIQEDHOVSLPUVKV-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenoxy-N-(3-phenylbutan-2-yl)aniline
CID 168720364
N-methyl-2-(4-phenoxyanilino)propanamide
CID 43085961
(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide
CID 25409314
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436
4-phenoxy-N-trimethylsilylaniline
CID 139791988
4-(4-methylphenoxy)-N-propan-2-ylaniline
CID 21043850
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 34273923
1-(3,3-dimethylbutan-2-yl)-4-phenoxybenzene
CID 59819110
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-[(2S)-3-methylbutan-2-yl]aniline
CID 126671348

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-4-phenoxyaniline?
The IUPAC name of N-(3-methylbutan-2-yl)-4-phenoxyaniline (CID 43111618) is N-(3-methylbutan-2-yl)-4-phenoxyaniline.
What is the SMILES notation for N-(3-methylbutan-2-yl)-4-phenoxyaniline?
The canonical SMILES for N-(3-methylbutan-2-yl)-4-phenoxyaniline is CC(C)C(C)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-4-phenoxyaniline?
The InChIKey is IQEDHOVSLPUVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)14(3)18-15-9-11-17(12-10-15)19-16-7-5-4-6-8-16/h4-14,18H,1-3H3.
What are the key properties of N-(3-methylbutan-2-yl)-4-phenoxyaniline?
N-(3-methylbutan-2-yl)-4-phenoxyaniline has a molecular weight of 255.36 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-4-phenoxyaniline is sourced from PubChem (CID 43111618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).