N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline

C16H20N2O — CID 117027387

IUPACN-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccccc1Nc1ccc(CN)cc1
InChIInChI=1S/C16H20N2O/c1-12(2)19-16-6-4-3-5-15(16)18-14-9-7-13(11-17)8-10-14/h3-10,12,18H,11,17H2,1-2H3
InChIKeyJTHXQXBFCRDHND-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.68
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline

N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline (PubChem CID 117027387) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline
PubChem CID117027387
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccccc1Nc1ccc(CN)cc1
InChIInChI=1S/C16H20N2O/c1-12(2)19-16-6-4-3-5-15(16)18-14-9-7-13(11-17)8-10-14/h3-10,12,18H,11,17H2,1-2H3
InChIKeyJTHXQXBFCRDHND-UHFFFAOYSA-N
XLogP3.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 117027093
4-(2-propan-2-yloxyanilino)benzoic acid
CID 82535891
N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide
CID 112987807
5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine
CID 96666799
1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine
CID 110452887
2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109267526
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
N-[1-(4-ethylphenyl)ethyl]-2-propan-2-yloxyaniline
CID 43739243
N-[4-(aminomethyl)phenyl]anthracen-1-amine
CID 174815298

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline (CID 117027387) is N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline is CC(C)Oc1ccccc1Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline?
The InChIKey is JTHXQXBFCRDHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(2)19-16-6-4-3-5-15(16)18-14-9-7-13(11-17)8-10-14/h3-10,12,18H,11,17H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline?
N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline has a molecular weight of 256.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 117027387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).