N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine

C15H26N2O — CID 115198678

IUPACN'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
SMILESCOc1c(C)cc(CN(C)CC(C)CN)cc1C
InChIInChI=1S/C15H26N2O/c1-11(8-16)9-17(4)10-14-6-12(2)15(18-5)13(3)7-14/h6-7,11H,8-10,16H2,1-5H3
InChIKeyIBZWNGGTDUBFGM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.34
Rot. Bonds6

About N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine

N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine (PubChem CID 115198678) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
PubChem CID115198678
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
SMILESCOc1c(C)cc(CN(C)CC(C)CN)cc1C
InChIInChI=1S/C15H26N2O/c1-11(8-16)9-17(4)10-14-6-12(2)15(18-5)13(3)7-14/h6-7,11H,8-10,16H2,1-5H3
InChIKeyIBZWNGGTDUBFGM-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54991612
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227089
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54992107
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198805
(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide
CID 94817225
2-ethyl-N'-[(4-methoxy-3-methylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251543
1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196458
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202067
(2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide
CID 119766907
1-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1-N-methylpropane-1,2-diamine
CID 115196670
N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202640

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine (CID 115198678) is N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine is COc1c(C)cc(CN(C)CC(C)CN)cc1C.
What is the InChIKey of N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The InChIKey is IBZWNGGTDUBFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(8-16)9-17(4)10-14-6-12(2)15(18-5)13(3)7-14/h6-7,11H,8-10,16H2,1-5H3.
What are the key properties of N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115198678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).