1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine

C15H26N2O — CID 115205218

IUPAC1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine
SMILESCOc1ccc(N(C)CCCC(C)(C)N)cc1C
InChIInChI=1S/C15H26N2O/c1-12-11-13(7-8-14(12)18-5)17(4)10-6-9-15(2,3)16/h7-8,11H,6,9-10,16H2,1-5H3
InChIKeyCMBBESNDTYTFLU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.96
Rot. Bonds6

About 1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine

1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine (PubChem CID 115205218) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine
PubChem CID115205218
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine
SMILESCOc1ccc(N(C)CCCC(C)(C)N)cc1C
InChIInChI=1S/C15H26N2O/c1-12-11-13(7-8-14(12)18-5)17(4)10-6-9-15(2,3)16/h7-8,11H,6,9-10,16H2,1-5H3
InChIKeyCMBBESNDTYTFLU-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-methoxy-3-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199109
3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 115135188
N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 115201080
N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine
CID 117040526
N'-(3-bromo-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 115201089
N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252382
1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205260
N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204769
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992
1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205259
1-N-[(4-methoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200571
1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 115200689

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine?
The IUPAC name of 1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine (CID 115205218) is 1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine.
What is the SMILES notation for 1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine?
The canonical SMILES for 1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine is COc1ccc(N(C)CCCC(C)(C)N)cc1C.
What is the InChIKey of 1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine?
The InChIKey is CMBBESNDTYTFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-11-13(7-8-14(12)18-5)17(4)10-6-9-15(2,3)16/h7-8,11H,6,9-10,16H2,1-5H3.
What are the key properties of 1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine?
1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine is sourced from PubChem (CID 115205218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).