N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine

C13H22N2O — CID 16784602

IUPACN',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(N)CN(C)C)cc1
InChIInChI=1S/C13H22N2O/c1-4-9-16-12-7-5-11(6-8-12)13(14)10-15(2)3/h5-8,13H,4,9-10,14H2,1-3H3
InChIKeyBDONKPBAMLBBIM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.04
Rot. Bonds6

About N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine

N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 16784602) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID16784602
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(N)CN(C)C)cc1
InChIInChI=1S/C13H22N2O/c1-4-9-16-12-7-5-11(6-8-12)13(14)10-15(2)3/h5-8,13H,4,9-10,14H2,1-3H3
InChIKeyBDONKPBAMLBBIM-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-propoxyphenyl)propan-1-amine
CID 16783118
N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 61429545
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132
N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 81055375
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481917
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
CID 63896619
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
1-[4-(3-methylbutoxy)phenyl]butan-1-amine
CID 153373818

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine (CID 16784602) is N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(C(N)CN(C)C)cc1.
What is the InChIKey of N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is BDONKPBAMLBBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-9-16-12-7-5-11(6-8-12)13(14)10-15(2)3/h5-8,13H,4,9-10,14H2,1-3H3.
What are the key properties of N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine?
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 16784602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).