N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine

C14H24N2O2 — CID 115199991

IUPACN'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
SMILESCOc1ccc(OC)c(CNCC(C)(C)CN)c1
InChIInChI=1S/C14H24N2O2/c1-14(2,9-15)10-16-8-11-7-12(17-3)5-6-13(11)18-4/h5-7,16H,8-10,15H2,1-4H3
InChIKeyKSLUQPJUYFPZFT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.78
Rot. Bonds7

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

N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine (PubChem CID 115199991) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
PubChem CID115199991
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
SMILESCOc1ccc(OC)c(CNCC(C)(C)CN)c1
InChIInChI=1S/C14H24N2O2/c1-14(2,9-15)10-16-8-11-7-12(17-3)5-6-13(11)18-4/h5-7,16H,8-10,15H2,1-4H3
InChIKeyKSLUQPJUYFPZFT-UHFFFAOYSA-N
XLogP1.78
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897564
1-N-[(2,5-dimethoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222214
1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119235
4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
CID 94264025
N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204419
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625291
N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664588
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204410
N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623243
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200149
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine (CID 115199991) is N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine is COc1ccc(OC)c(CNCC(C)(C)CN)c1.
What is the InChIKey of N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine?
The InChIKey is KSLUQPJUYFPZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,9-15)10-16-8-11-7-12(17-3)5-6-13(11)18-4/h5-7,16H,8-10,15H2,1-4H3.
What are the key properties of N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine?
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115199991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).