1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine

C18H32N2O2 — CID 22457316

IUPAC1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
SMILESCC(C)COCCNc1ccccc1NCCOCC(C)C
InChIInChI=1S/C18H32N2O2/c1-15(2)13-21-11-9-19-17-7-5-6-8-18(17)20-10-12-22-14-16(3)4/h5-8,15-16,19-20H,9-14H2,1-4H3
InChIKeyFFURWMBCOAECTC-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.86
Rot. Bonds12

About 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine

1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine (PubChem CID 22457316) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
PubChem CID22457316
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
SMILESCC(C)COCCNc1ccccc1NCCOCC(C)C
InChIInChI=1S/C18H32N2O2/c1-15(2)13-21-11-9-19-17-7-5-6-8-18(17)20-10-12-22-14-16(3)4/h5-8,15-16,19-20H,9-14H2,1-4H3
InChIKeyFFURWMBCOAECTC-UHFFFAOYSA-N
XLogP3.86
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-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

2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline
CID 106450230
N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylaniline
CID 115641037
2-(difluoromethylsulfanyl)-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451258
2-(difluoromethylsulfonyl)-N-[2-(2-methylpropoxy)ethyl]aniline
CID 115620846
4-bromo-2,3-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 107788842
5-bromo-2-fluoro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451652
4-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451573
2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451146
5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451352
3-ethoxy-N-[2-(2-methylpropoxy)ethyl]-2-nitroaniline
CID 104695257
3-fluoro-1-N-[3-(2-methylpropoxy)propyl]benzene-1,2-diamine
CID 114097543
N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline
CID 63488583

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine (CID 22457316) is 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine is CC(C)COCCNc1ccccc1NCCOCC(C)C.
What is the InChIKey of 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine?
The InChIKey is FFURWMBCOAECTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-15(2)13-21-11-9-19-17-7-5-6-8-18(17)20-10-12-22-14-16(3)4/h5-8,15-16,19-20H,9-14H2,1-4H3.
What are the key properties of 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine?
1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine has a molecular weight of 308.47 g/mol, XLogP of 3.86, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 22457316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).