1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine

C16H28N2O — CID 116934324

IUPAC1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
SMILESCOc1cc(C)c(C(N)CCC(C)N)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-10(2)13-9-14(11(3)8-16(13)19-5)15(18)7-6-12(4)17/h8-10,12,15H,6-7,17-18H2,1-5H3
InChIKeyKQJSNCVLKIOFID-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.25
Rot. Bonds6

About 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine

1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine (PubChem CID 116934324) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
PubChem CID116934324
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
SMILESCOc1cc(C)c(C(N)CCC(C)N)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-10(2)13-9-14(11(3)8-16(13)19-5)15(18)7-6-12(4)17/h8-10,12,15H,6-7,17-18H2,1-5H3
InChIKeyKQJSNCVLKIOFID-UHFFFAOYSA-N
XLogP3.25
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine
CID 69279572
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764
2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol
CID 116942367
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propane-1-thiol
CID 116831267
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethylhydrazine
CID 82473084
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(1-methylcyclopropyl)methanamine
CID 82296040
1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol
CID 84782788
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol
CID 116829986
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954652
1-(5-chloro-2-methoxy-4-methylphenyl)butane-1,4-diamine
CID 116933715

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine?
The IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine (CID 116934324) is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine?
The canonical SMILES for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine is COc1cc(C)c(C(N)CCC(C)N)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine?
The InChIKey is KQJSNCVLKIOFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-10(2)13-9-14(11(3)8-16(13)19-5)15(18)7-6-12(4)17/h8-10,12,15H,6-7,17-18H2,1-5H3.
What are the key properties of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine?
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine is sourced from PubChem (CID 116934324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).