2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine

C15H26N2O — CID 115131889

IUPAC2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
SMILESCOc1ccc(C(C)C)cc1CNC(C)(C)CN
InChIInChI=1S/C15H26N2O/c1-11(2)12-6-7-14(18-5)13(8-12)9-17-15(3,4)10-16/h6-8,11,17H,9-10,16H2,1-5H3
InChIKeyPPBUDBLPAIJSOW-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.65
Rot. Bonds6

About 2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine

2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine (PubChem CID 115131889) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
PubChem CID115131889
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
SMILESCOc1ccc(C(C)C)cc1CNC(C)(C)CN
InChIInChI=1S/C15H26N2O/c1-11(2)12-6-7-14(18-5)13(8-12)9-17-15(3,4)10-16/h6-8,11,17H,9-10,16H2,1-5H3
InChIKeyPPBUDBLPAIJSOW-UHFFFAOYSA-N
XLogP2.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-propan-2-ylphenyl)-N,2-dimethylpropan-2-amine
CID 94686610
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
[(2-methoxy-5-propan-2-ylphenyl)methylamino]methanethiol
CID 115227896
2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115131859
2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine
CID 23198486
2-(2-methoxy-5-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853494
4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]butan-2-one
CID 115235635
2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131971
2-hydroxy-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 94687136
methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate
CID 116927536
2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid
CID 115240663
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-sulfanylacetamide
CID 115167149

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine (CID 115131889) is 2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine is COc1ccc(C(C)C)cc1CNC(C)(C)CN.
What is the InChIKey of 2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine?
The InChIKey is PPBUDBLPAIJSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)12-6-7-14(18-5)13(8-12)9-17-15(3,4)10-16/h6-8,11,17H,9-10,16H2,1-5H3.
What are the key properties of 2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine?
2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115131889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).