2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine

C14H24N2O — CID 83142108

IUPAC2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine
SMILESCOc1cc(NCC(C)C(C)(C)C)ccc1N
InChIInChI=1S/C14H24N2O/c1-10(14(2,3)4)9-16-11-6-7-12(15)13(8-11)17-5/h6-8,10,16H,9,15H2,1-5H3
InChIKeyKPRRONQVKMHZPE-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.37
Rot. Bonds4

About 2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine

2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine (PubChem CID 83142108) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine
PubChem CID83142108
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine
SMILESCOc1cc(NCC(C)C(C)(C)C)ccc1N
InChIInChI=1S/C14H24N2O/c1-10(14(2,3)4)9-16-11-6-7-12(15)13(8-11)17-5/h6-8,10,16H,9,15H2,1-5H3
InChIKeyKPRRONQVKMHZPE-UHFFFAOYSA-N
XLogP3.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.37
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

2-methoxy-4-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine
CID 102903600
3-chloro-4-methoxy-N-(2,3,3-trimethylbutyl)aniline
CID 114270442
4-methyl-1-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142252
4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine
CID 55232940
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036754
3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142103
2-methoxy-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine
CID 114187380
5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
(2R)-1-(3,4-dimethoxyanilino)propan-2-ol
CID 39242812
4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 113449895
4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine
CID 106750890

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine (CID 83142108) is 2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine is COc1cc(NCC(C)C(C)(C)C)ccc1N.
What is the InChIKey of 2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine?
The InChIKey is KPRRONQVKMHZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(14(2,3)4)9-16-11-6-7-12(15)13(8-11)17-5/h6-8,10,16H,9,15H2,1-5H3.
What are the key properties of 2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine?
2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine is sourced from PubChem (CID 83142108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).