N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine

C13H23N3O — CID 65385216

IUPACN-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CN)NCCN(C)C
InChIInChI=1S/C13H23N3O/c1-16(2)9-8-15-12(10-14)11-6-4-5-7-13(11)17-3/h4-7,12,15H,8-10,14H2,1-3H3
InChIKeySTNPRSSSVPQYSZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.85
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine

N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine (PubChem CID 65385216) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine
PubChem CID65385216
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CN)NCCN(C)C
InChIInChI=1S/C13H23N3O/c1-16(2)9-8-15-12(10-14)11-6-4-5-7-13(11)17-3/h4-7,12,15H,8-10,14H2,1-3H3
InChIKeySTNPRSSSVPQYSZ-UHFFFAOYSA-N
XLogP0.85
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380773
2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889204
N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine
CID 65384159
1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912491
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466724
N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385525
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 105476318
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine (CID 65385216) is N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine is COc1ccccc1C(CN)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is STNPRSSSVPQYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-16(2)9-8-15-12(10-14)11-6-4-5-7-13(11)17-3/h4-7,12,15H,8-10,14H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine?
N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 237.35 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65385216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).