N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine

C15H26N2O — CID 115206306

IUPACN-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1cc(C)c(NCCNC(C)C)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-10(2)16-7-8-17-15-11(3)9-14(18-6)12(4)13(15)5/h9-10,16-17H,7-8H2,1-6H3
InChIKeyGJYNJGLKSWVUKO-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.03
Rot. Bonds6

About N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine

N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 115206306) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID115206306
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1cc(C)c(NCCNC(C)C)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-10(2)16-7-8-17-15-11(3)9-14(18-6)12(4)13(15)5/h9-10,16-17H,7-8H2,1-6H3
InChIKeyGJYNJGLKSWVUKO-UHFFFAOYSA-N
XLogP3.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.03
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

4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol
CID 115217429
N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine
CID 115225481
(4-methoxy-2,3,6-trimethylanilino)methanethiol
CID 115227686
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
CID 98015186
2-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)propanamide
CID 115140443
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline
CID 115243925
2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol
CID 115133196
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494
N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 95446206
3-(5-chloro-4-methoxy-2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 98784567
1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol
CID 112518901

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine (CID 115206306) is N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine is COc1cc(C)c(NCCNC(C)C)c(C)c1C.
What is the InChIKey of N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is GJYNJGLKSWVUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10(2)16-7-8-17-15-11(3)9-14(18-6)12(4)13(15)5/h9-10,16-17H,7-8H2,1-6H3.
What are the key properties of N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine?
N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).