N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine

C15H26N2O — CID 115252801

IUPACN-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CNCc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C15H26N2O/c1-12(2)14(10-16-3)11-17-9-13-5-7-15(18-4)8-6-13/h5-8,12,14,16-17H,9-11H2,1-4H3
InChIKeyDSOFEOJGIIINST-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.28
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine

N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252801) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252801
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CNCc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C15H26N2O/c1-12(2)14(10-16-3)11-17-9-13-5-7-15(18-4)8-6-13/h5-8,12,14,16-17H,9-11H2,1-4H3
InChIKeyDSOFEOJGIIINST-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine
CID 10609197
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252833
4-chloro-N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 66091317
N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83141221
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
1-[(4-methoxyphenyl)methylamino]butan-2-ol
CID 23060649
2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 54803505
N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
CID 115187709
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
N-(hydrazinylmethyl)-1-(4-methoxyphenyl)methanamine
CID 115260736

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine (CID 115252801) is N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine is CNCC(CNCc1ccc(OC)cc1)C(C)C.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is DSOFEOJGIIINST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)14(10-16-3)11-17-9-13-5-7-15(18-4)8-6-13/h5-8,12,14,16-17H,9-11H2,1-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).