(1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine

C14H24N2O2 — CID 93489442

IUPAC(1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)[C@@H](CN)c1ccc(OC)cc1OC
InChIInChI=1S/C14H24N2O2/c1-5-16(6-2)13(10-15)12-8-7-11(17-3)9-14(12)18-4/h7-9,13H,5-6,10,15H2,1-4H3/t13-/m0/s1
InChIKeyUYYJVSHOUGFOSX-ZDUSSCGKSA-N
MW252.36 g/mol
LogP2.05
Rot. Bonds7

About (1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine

(1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine (PubChem CID 93489442) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
PubChem CID93489442
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)[C@@H](CN)c1ccc(OC)cc1OC
InChIInChI=1S/C14H24N2O2/c1-5-16(6-2)13(10-15)12-8-7-11(17-3)9-14(12)18-4/h7-9,13H,5-6,10,15H2,1-4H3/t13-/m0/s1
InChIKeyUYYJVSHOUGFOSX-ZDUSSCGKSA-N
XLogP2.05
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61444733
1-(2,5-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 16642878
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 63954730
1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
CID 112508474
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 43268553
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
1-(2,4-dimethoxyphenyl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 43296464
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
N-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43263961

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine?
The IUPAC name of (1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine (CID 93489442) is (1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine?
The canonical SMILES for (1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine is CCN(CC)[C@@H](CN)c1ccc(OC)cc1OC.
What is the InChIKey of (1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine?
The InChIKey is UYYJVSHOUGFOSX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-16(6-2)13(10-15)12-8-7-11(17-3)9-14(12)18-4/h7-9,13H,5-6,10,15H2,1-4H3/t13-/m0/s1.
What are the key properties of (1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine?
(1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 93489442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).