N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine

C15H26N2O2 — CID 115202575

IUPACN-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine
SMILESCOc1cc(C)c(CNCC(C)CCN)cc1OC
InChIInChI=1S/C15H26N2O2/c1-11(5-6-16)9-17-10-13-8-15(19-4)14(18-3)7-12(13)2/h7-8,11,17H,5-6,9-10,16H2,1-4H3
InChIKeyMSUGNVYNQHNRTK-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.09
Rot. Bonds8

About N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine (PubChem CID 115202575) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine
PubChem CID115202575
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine
SMILESCOc1cc(C)c(CNCC(C)CCN)cc1OC
InChIInChI=1S/C15H26N2O2/c1-11(5-6-16)9-17-10-13-8-15(19-4)14(18-3)7-12(13)2/h7-8,11,17H,5-6,9-10,16H2,1-4H3
InChIKeyMSUGNVYNQHNRTK-UHFFFAOYSA-N
XLogP2.09
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202568
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine
CID 115201222
2-methyl-N-[(4-methylthiophen-3-yl)methyl]butane-1,4-diamine
CID 80544239
4-[(4-methoxy-2,5-dimethylphenyl)methylamino]-3-methylbutanoic acid
CID 115219916
N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198523
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111916640
N-(3,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
CID 114987378
N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine
CID 115201196
N-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202794
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198519
2-[[(4-methoxy-2,5-dimethylphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254466
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine?
The IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine (CID 115202575) is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine is COc1cc(C)c(CNCC(C)CCN)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine?
The InChIKey is MSUGNVYNQHNRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(5-6-16)9-17-10-13-8-15(19-4)14(18-3)7-12(13)2/h7-8,11,17H,5-6,9-10,16H2,1-4H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine?
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine is sourced from PubChem (CID 115202575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).