1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine

C17H30N2O2 — CID 81036559

IUPAC1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
SMILESCCC(N)C(c1ccccc1OC)N(C)CCOC(C)C
InChIInChI=1S/C17H30N2O2/c1-6-15(18)17(19(4)11-12-21-13(2)3)14-9-7-8-10-16(14)20-5/h7-10,13,15,17H,6,11-12,18H2,1-5H3
InChIKeyKAAHBZCMEFZKEY-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.83
Rot. Bonds9

About 1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine

1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine (PubChem CID 81036559) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
PubChem CID81036559
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
SMILESCCC(N)C(c1ccccc1OC)N(C)CCOC(C)C
InChIInChI=1S/C17H30N2O2/c1-6-15(18)17(19(4)11-12-21-13(2)3)14-9-7-8-10-16(14)20-5/h7-10,13,15,17H,6,11-12,18H2,1-5H3
InChIKeyKAAHBZCMEFZKEY-UHFFFAOYSA-N
XLogP2.83
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-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-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine
CID 81058853
1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine
CID 55021740
1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine
CID 79481507
1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81058258
2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol
CID 82982904
3-[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]propanenitrile
CID 55022271
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81058663
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine
CID 55018970
2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol
CID 102860441
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
2-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81055890

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
The IUPAC name of 1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine (CID 81036559) is 1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
The canonical SMILES for 1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine is CCC(N)C(c1ccccc1OC)N(C)CCOC(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
The InChIKey is KAAHBZCMEFZKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-15(18)17(19(4)11-12-21-13(2)3)14-9-7-8-10-16(14)20-5/h7-10,13,15,17H,6,11-12,18H2,1-5H3.
What are the key properties of 1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine is sourced from PubChem (CID 81036559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).