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

C16H28N2O — CID 116905729

IUPAC1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine
SMILESCOc1ccc(C(CC(C)(C)CN)N(C)C)cc1C
InChIInChI=1S/C16H28N2O/c1-12-9-13(7-8-15(12)19-6)14(18(4)5)10-16(2,3)11-17/h7-9,14H,10-11,17H2,1-6H3
InChIKeyTYPNSPULRBYUTG-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.98
Rot. Bonds6

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

1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine (PubChem CID 116905729) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine
PubChem CID116905729
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine
SMILESCOc1ccc(C(CC(C)(C)CN)N(C)C)cc1C
InChIInChI=1S/C16H28N2O/c1-12-9-13(7-8-15(12)19-6)14(18(4)5)10-16(2,3)11-17/h7-9,14H,10-11,17H2,1-6H3
InChIKeyTYPNSPULRBYUTG-UHFFFAOYSA-N
XLogP2.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 116857211
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983095
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116948987
3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 116911674
1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905016
3-(4-methoxy-3-methylphenyl)sulfanyl-2,2-dimethylpropan-1-amine
CID 117032776
1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
CID 43379716
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116905767
2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol
CID 79137885
1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine
CID 116906723
N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 62132256

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine (CID 116905729) is 1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine is COc1ccc(C(CC(C)(C)CN)N(C)C)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine?
The InChIKey is TYPNSPULRBYUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-9-13(7-8-15(12)19-6)14(18(4)5)10-16(2,3)11-17/h7-9,14H,10-11,17H2,1-6H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine?
1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine is sourced from PubChem (CID 116905729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).