N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine

C15H26N2O2 — CID 115252336

IUPACN'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCOc1cc(NCC(CN)C(C)C)c(OC)cc1C
InChIInChI=1S/C15H26N2O2/c1-10(2)12(8-16)9-17-13-7-14(18-4)11(3)6-15(13)19-5/h6-7,10,12,17H,8-9,16H2,1-5H3
InChIKeyAMXSICKQUNVUDU-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.66
Rot. Bonds7

About N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine

N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252336) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252336
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCOc1cc(NCC(CN)C(C)C)c(OC)cc1C
InChIInChI=1S/C15H26N2O2/c1-10(2)12(8-16)9-17-13-7-14(18-4)11(3)6-15(13)19-5/h6-7,10,12,17H,8-9,16H2,1-5H3
InChIKeyAMXSICKQUNVUDU-UHFFFAOYSA-N
XLogP2.66
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252337
(2,5-dimethoxy-4-methylanilino)methanethiol
CID 115227630
2-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 115198315
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-methoxybenzenesulfonamide
CID 107441785
3-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2,3-triamine
CID 115119373
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442697
1-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 115196333
3-N-(2,5-dimethoxy-4-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134457
1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine
CID 115196355
2-[(2-methoxy-4,5-dimethylanilino)methyl]-3-methylbutanoic acid
CID 115250182
2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine
CID 103388458

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine (CID 115252336) is N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine is COc1cc(NCC(CN)C(C)C)c(OC)cc1C.
What is the InChIKey of N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is AMXSICKQUNVUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)12(8-16)9-17-13-7-14(18-4)11(3)6-15(13)19-5/h6-7,10,12,17H,8-9,16H2,1-5H3.
What are the key properties of N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).