N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

C19H26N2O — CID 54809939

IUPACN'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCNc2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C19H26N2O/c1-14(2)22-18-10-8-17(9-11-18)20-12-13-21-19-7-5-6-15(3)16(19)4/h5-11,14,20-21H,12-13H2,1-4H3
InChIKeyVFBKMPXEGCPTRO-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.61
Rot. Bonds7

About N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 54809939) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID54809939
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCNc2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C19H26N2O/c1-14(2)22-18-10-8-17(9-11-18)20-12-13-21-19-7-5-6-15(3)16(19)4/h5-11,14,20-21H,12-13H2,1-4H3
InChIKeyVFBKMPXEGCPTRO-UHFFFAOYSA-N
XLogP4.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 54805936
N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 54805514
N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805668
N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline
CID 54799793
N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809532
2,3-dimethyl-N-(3-methylbutyl)aniline
CID 29053614
N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805438
N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805421
N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
N'-(3-chloro-2-methylphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54805636
2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
CID 54797800
N'-(3-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)ethane-1,2-diamine
CID 54805427

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 54809939) is N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is Cc1cccc(NCCNc2ccc(OC(C)C)cc2)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is VFBKMPXEGCPTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14(2)22-18-10-8-17(9-11-18)20-12-13-21-19-7-5-6-15(3)16(19)4/h5-11,14,20-21H,12-13H2,1-4H3.
What are the key properties of N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54809939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).