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

C15H26N2O2 — CID 107441147

IUPACN'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccc(CNCC(CN)C(C)C)cc1OC
InChIInChI=1S/C15H26N2O2/c1-11(2)13(8-16)10-17-9-12-5-6-14(18-3)15(7-12)19-4/h5-7,11,13,17H,8-10,16H2,1-4H3
InChIKeyHOHBLETZMOBGBP-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.02
Rot. Bonds8

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

N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441147) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441147
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccc(CNCC(CN)C(C)C)cc1OC
InChIInChI=1S/C15H26N2O2/c1-11(2)13(8-16)10-17-9-12-5-6-14(18-3)15(7-12)19-4/h5-7,11,13,17H,8-10,16H2,1-4H3
InChIKeyHOHBLETZMOBGBP-UHFFFAOYSA-N
XLogP2.02
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252463
N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442907
1-N-[(3,4-dimethoxyphenyl)methyl]butane-1,2-diamine
CID 83957273
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115592709
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252560
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763989
N'-[1-(3,4-dimethoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441990
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 22026275
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
2-amino-3-[(3,4-dimethoxyphenyl)methylamino]propanoic acid
CID 64583436
1-[(3,4-dimethoxyphenyl)methylamino]propan-2-ol;oxalic acid
CID 45074838

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine (CID 107441147) is N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine is COc1ccc(CNCC(CN)C(C)C)cc1OC.
What is the InChIKey of N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is HOHBLETZMOBGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)13(8-16)10-17-9-12-5-6-14(18-3)15(7-12)19-4/h5-7,11,13,17H,8-10,16H2,1-4H3.
What are the key properties of N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).