3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine

C15H26N2O2 — CID 115134910

IUPAC3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine
SMILESCOc1ccc(OC)c(CCNC(C)(C)CCN)c1
InChIInChI=1S/C15H26N2O2/c1-15(2,8-9-16)17-10-7-12-11-13(18-3)5-6-14(12)19-4/h5-6,11,17H,7-10,16H2,1-4H3
InChIKeyRTMLYJDKOSCGFS-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.96
Rot. Bonds8

About 3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine

3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine (PubChem CID 115134910) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine
PubChem CID115134910
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine
SMILESCOc1ccc(OC)c(CCNC(C)(C)CCN)c1
InChIInChI=1S/C15H26N2O2/c1-15(2,8-9-16)17-10-7-12-11-13(18-3)5-6-14(12)19-4/h5-6,11,17H,7-10,16H2,1-4H3
InChIKeyRTMLYJDKOSCGFS-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
CID 94264025
N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227129
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 39245762
2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115132209
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132903
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115199991
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
CID 115217746
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol
CID 115133642
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine?
The IUPAC name of 3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine (CID 115134910) is 3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine is COc1ccc(OC)c(CCNC(C)(C)CCN)c1.
What is the InChIKey of 3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine?
The InChIKey is RTMLYJDKOSCGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,8-9-16)17-10-7-12-11-13(18-3)5-6-14(12)19-4/h5-6,11,17H,7-10,16H2,1-4H3.
What are the key properties of 3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine?
3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine has a molecular weight of 266.38 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine is sourced from PubChem (CID 115134910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).