4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline

C16H20N2O — CID 116996629

IUPAC4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline
SMILESCC(C)(CN)c1cccc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C16H20N2O/c1-16(2,11-17)12-4-3-5-15(10-12)19-14-8-6-13(18)7-9-14/h3-10H,11,17-18H2,1-2H3
InChIKeyYFLJBVFWBXOFJS-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.30
Rot. Bonds4

About 4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline

4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline (PubChem CID 116996629) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline.

Molecular Properties

Compound Name4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline
PubChem CID116996629
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline
SMILESCC(C)(CN)c1cccc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C16H20N2O/c1-16(2,11-17)12-4-3-5-15(10-12)19-14-8-6-13(18)7-9-14/h3-10H,11,17-18H2,1-2H3
InChIKeyYFLJBVFWBXOFJS-UHFFFAOYSA-N
XLogP3.30
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-aminophenoxy)phenyl]-2-methylpropanenitrile
CID 116996664
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
2-[3-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine
CID 57243357
3-[4-[4-(3-tert-butylphenoxy)phenyl]phenoxy]aniline
CID 143534956
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-[3-[2-[3-(3-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-[3-[2-[3-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline
CID 157307509
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline?
The IUPAC name of 4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline (CID 116996629) is 4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline.
What is the SMILES notation for 4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline?
The canonical SMILES for 4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline is CC(C)(CN)c1cccc(Oc2ccc(N)cc2)c1.
What is the InChIKey of 4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline?
The InChIKey is YFLJBVFWBXOFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2,11-17)12-4-3-5-15(10-12)19-14-8-6-13(18)7-9-14/h3-10H,11,17-18H2,1-2H3.
What are the key properties of 4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline?
4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline has a molecular weight of 256.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline is sourced from PubChem (CID 116996629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).