5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine

C16H20N2O — CID 19849945

IUPAC5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(N)c1C(C)(C)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-16(2,11-7-5-4-6-8-11)15-13(18)9-12(17)10-14(15)19-3/h4-10H,17-18H2,1-3H3
InChIKeyBBPINJQMTUGXJC-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.19
Rot. Bonds3

About 5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine

5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine (PubChem CID 19849945) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine
PubChem CID19849945
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(N)c1C(C)(C)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-16(2,11-7-5-4-6-8-11)15-13(18)9-12(17)10-14(15)19-3/h4-10H,17-18H2,1-3H3
InChIKeyBBPINJQMTUGXJC-UHFFFAOYSA-N
XLogP3.19
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.19
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

2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride
CID 2757944
3,5-bis(2-phenylpropan-2-yl)aniline
CID 142144538
4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline
CID 146642580
4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine
CID 19849902
2-phenylpropan-2-ylbenzene
CID 13065
8-fluoro-4-methoxynaphthalen-2-amine
CID 105444772
2-[2-(2-phenylpropan-2-yl)phenoxy]aniline
CID 67055511
3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine
CID 82141632
2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol
CID 88637730
2-[2-[4-[2-(2-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
CID 18997970
1-(3,4-dimethoxyphenyl)-1-phenylethanol
CID 55116125
2-methoxyaniline;dihydrochloride
CID 69020746

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine?
The IUPAC name of 5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine (CID 19849945) is 5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine?
The canonical SMILES for 5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine is COc1cc(N)cc(N)c1C(C)(C)c1ccccc1.
What is the InChIKey of 5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine?
The InChIKey is BBPINJQMTUGXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2,11-7-5-4-6-8-11)15-13(18)9-12(17)10-14(15)19-3/h4-10H,17-18H2,1-3H3.
What are the key properties of 5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine?
5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 19849945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).