2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine

C16H20N2O — CID 154276694

IUPAC2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine
SMILESCC(C)COc1ccc(Nc2ccccc2N)cc1
InChIInChI=1S/C16H20N2O/c1-12(2)11-19-14-9-7-13(8-10-14)18-16-6-4-3-5-15(16)17/h3-10,12,18H,11,17H2,1-2H3
InChIKeyMSDNALYEHVODLB-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.05
Rot. Bonds5

About 2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine

2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine (PubChem CID 154276694) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine
PubChem CID154276694
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine
SMILESCC(C)COc1ccc(Nc2ccccc2N)cc1
InChIInChI=1S/C16H20N2O/c1-12(2)11-19-14-9-7-13(8-10-14)18-16-6-4-3-5-15(16)17/h3-10,12,18H,11,17H2,1-2H3
InChIKeyMSDNALYEHVODLB-UHFFFAOYSA-N
XLogP4.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine
CID 82059569
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
CID 83946363
1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea
CID 4940469
2-methylpropyl N-(2-aminophenyl)carbamate
CID 43185966
2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39372728
N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
CID 39369134
1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine
CID 83946331
N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820437
6-(2-aminoanilino)-13-[(2R)-2,3-dihydroxypropoxy]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 45280587
N-[4-(2-methylpropoxy)phenyl]-2-(naphthalen-1-ylamino)acetamide
CID 54809414
N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride
CID 84760646

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine (CID 154276694) is 2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine is CC(C)COc1ccc(Nc2ccccc2N)cc1.
What is the InChIKey of 2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine?
The InChIKey is MSDNALYEHVODLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(2)11-19-14-9-7-13(8-10-14)18-16-6-4-3-5-15(16)17/h3-10,12,18H,11,17H2,1-2H3.
What are the key properties of 2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine?
2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 154276694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).