N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine

C15H26N2O — CID 115198519

IUPACN'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine
SMILESCOc1cc(C(C)C)ccc1CNCC(C)CN
InChIInChI=1S/C15H26N2O/c1-11(2)13-5-6-14(15(7-13)18-4)10-17-9-12(3)8-16/h5-7,11-12,17H,8-10,16H2,1-4H3
InChIKeyGBDZURJPOXNQBH-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.50
Rot. Bonds7

About N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine

N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine (PubChem CID 115198519) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine
PubChem CID115198519
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine
SMILESCOc1cc(C(C)C)ccc1CNCC(C)CN
InChIInChI=1S/C15H26N2O/c1-11(2)13-5-6-14(15(7-13)18-4)10-17-9-12(3)8-16/h5-7,11-12,17H,8-10,16H2,1-4H3
InChIKeyGBDZURJPOXNQBH-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198523
1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one
CID 115234731
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197846
1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116859156
N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 115271618
2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
CID 115152376
2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid
CID 115240663
[(2-methoxy-5-propan-2-ylphenyl)methylamino]methanethiol
CID 115227896
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194650
ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate
CID 110782911
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine?
The IUPAC name of N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine (CID 115198519) is N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine is COc1cc(C(C)C)ccc1CNCC(C)CN.
What is the InChIKey of N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine?
The InChIKey is GBDZURJPOXNQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)13-5-6-14(15(7-13)18-4)10-17-9-12(3)8-16/h5-7,11-12,17H,8-10,16H2,1-4H3.
What are the key properties of N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine?
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine is sourced from PubChem (CID 115198519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).