4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine

C17H22N2O — CID 83002662

IUPAC4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
SMILESCc1ccccc1CNc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C17H22N2O/c1-12(2)20-17-10-15(8-9-16(17)18)19-11-14-7-5-4-6-13(14)3/h4-10,12,19H,11,18H2,1-3H3
InChIKeyKROCSKKBQSHTPL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.98
Rot. Bonds5

About 4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine

4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 83002662) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID83002662
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
SMILESCc1ccccc1CNc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C17H22N2O/c1-12(2)20-17-10-15(8-9-16(17)18)19-11-14-7-5-4-6-13(14)3/h4-10,12,19H,11,18H2,1-3H3
InChIKeyKROCSKKBQSHTPL-UHFFFAOYSA-N
XLogP3.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002244
4-N-[(2,5-difluorophenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83005121
N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline
CID 66417261
4-N-[(5-ethylthiophen-2-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 106007357
4-N-[(5-bromothiophen-2-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002044
2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 83002469
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002592
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002233
1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol
CID 107151111
2-propan-2-yloxy-4-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,4-diamine
CID 83001895

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine (CID 83002662) is 4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine is Cc1ccccc1CNc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is KROCSKKBQSHTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)20-17-10-15(8-9-16(17)18)19-11-14-7-5-4-6-13(14)3/h4-10,12,19H,11,18H2,1-3H3.
What are the key properties of 4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine?
4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 83002662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).