4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline

C17H21NO2 — CID 82535713

IUPAC4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
SMILESCOc1ccc(Nc2ccc(OC(C)(C)C)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-17(2,3)20-16-11-7-14(8-12-16)18-13-5-9-15(19-4)10-6-13/h5-12,18H,1-4H3
InChIKeyUQOPGOFVRZBPIJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.62
Rot. Bonds4

About 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline

4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline (PubChem CID 82535713) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
PubChem CID82535713
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
SMILESCOc1ccc(Nc2ccc(OC(C)(C)C)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-17(2,3)20-16-11-7-14(8-12-16)18-13-5-9-15(19-4)10-6-13/h5-12,18H,1-4H3
InChIKeyUQOPGOFVRZBPIJ-UHFFFAOYSA-N
XLogP4.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-4-amine
CID 82535722
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine
CID 82535721
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
CID 101376712
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
3,4,5-trifluoro-N-(4-methoxyphenyl)aniline
CID 52951070
N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 96671315
1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine
CID 110452960
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline?
The IUPAC name of 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline (CID 82535713) is 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline.
What is the SMILES notation for 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline?
The canonical SMILES for 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline is COc1ccc(Nc2ccc(OC(C)(C)C)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline?
The InChIKey is UQOPGOFVRZBPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)20-16-11-7-14(8-12-16)18-13-5-9-15(19-4)10-6-13/h5-12,18H,1-4H3.
What are the key properties of 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline?
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline has a molecular weight of 271.36 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline is sourced from PubChem (CID 82535713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).