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

C15H26N2O — CID 115197846

IUPACN'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H26N2O/c1-12(2)13-6-7-14(15(10-13)18-4)11-17-9-5-8-16-3/h6-7,10,12,16-17H,5,8-9,11H2,1-4H3
InChIKeyQAJTXXSQLTUCRI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds8

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

N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine (PubChem CID 115197846) 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]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine
PubChem CID115197846
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H26N2O/c1-12(2)13-6-7-14(15(10-13)18-4)11-17-9-5-8-16-3/h6-7,10,12,16-17H,5,8-9,11H2,1-4H3
InChIKeyQAJTXXSQLTUCRI-UHFFFAOYSA-N
XLogP2.52
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 115197860
1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one
CID 115234731
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198519
N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine
CID 115201692
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197854
4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]butanoic acid
CID 115218601
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194650
2-[2-(2-methoxy-4-propan-2-ylphenyl)ethylamino]acetonitrile
CID 115131233
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 81105409

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine (CID 115197846) is N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine is CNCCCNCc1ccc(C(C)C)cc1OC.
What is the InChIKey of N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine?
The InChIKey is QAJTXXSQLTUCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)13-6-7-14(15(10-13)18-4)11-17-9-5-8-16-3/h6-7,10,12,16-17H,5,8-9,11H2,1-4H3.
What are the key properties of N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine?
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.52, 8 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]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 115197846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).