N-hexyl-4,5-dimethoxy-2-methylaniline

C15H25NO2 — CID 43228540

IUPACN-hexyl-4,5-dimethoxy-2-methylaniline
SMILESCCCCCCNc1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H25NO2/c1-5-6-7-8-9-16-13-11-15(18-4)14(17-3)10-12(13)2/h10-11,16H,5-9H2,1-4H3
InChIKeyCZSMSDJYUBNYMD-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.00
Rot. Bonds8

About N-hexyl-4,5-dimethoxy-2-methylaniline

N-hexyl-4,5-dimethoxy-2-methylaniline (PubChem CID 43228540) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-hexyl-4,5-dimethoxy-2-methylaniline.

Molecular Properties

Compound NameN-hexyl-4,5-dimethoxy-2-methylaniline
PubChem CID43228540
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-hexyl-4,5-dimethoxy-2-methylaniline
SMILESCCCCCCNc1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H25NO2/c1-5-6-7-8-9-16-13-11-15(18-4)14(17-3)10-12(13)2/h10-11,16H,5-9H2,1-4H3
InChIKeyCZSMSDJYUBNYMD-UHFFFAOYSA-N
XLogP4.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
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

2,4-dibromo-N-hexyl-5-methoxyaniline
CID 103411588
4-methoxy-2-methyl-N-nonylaniline
CID 63492120
4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
CID 98783881
2-(heptylamino)-4,5-dimethoxybenzoic acid
CID 82096479
2,4-dimethoxy-N-pentylaniline
CID 28570496
2,5-dimethyl-4-(pentylamino)phenol
CID 106953723
5-bromo-4-fluoro-2-methyl-N-nonylaniline
CID 107591959
N-hexyl-3,4,5-trimethoxyaniline
CID 28876878
N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline
CID 43716743
2-chloro-5-methyl-4-N-octylbenzene-1,4-diamine
CID 115566164
methyl 3-(hexylamino)-4-methylbenzoate
CID 43228580
2,5-dibromo-1-N,4-N-dihexylbenzene-1,4-diamine
CID 132917339

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4,5-dimethoxy-2-methylaniline?
The IUPAC name of N-hexyl-4,5-dimethoxy-2-methylaniline (CID 43228540) is N-hexyl-4,5-dimethoxy-2-methylaniline.
What is the SMILES notation for N-hexyl-4,5-dimethoxy-2-methylaniline?
The canonical SMILES for N-hexyl-4,5-dimethoxy-2-methylaniline is CCCCCCNc1cc(OC)c(OC)cc1C.
What is the InChIKey of N-hexyl-4,5-dimethoxy-2-methylaniline?
The InChIKey is CZSMSDJYUBNYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-6-7-8-9-16-13-11-15(18-4)14(17-3)10-12(13)2/h10-11,16H,5-9H2,1-4H3.
What are the key properties of N-hexyl-4,5-dimethoxy-2-methylaniline?
N-hexyl-4,5-dimethoxy-2-methylaniline has a molecular weight of 251.37 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4,5-dimethoxy-2-methylaniline is sourced from PubChem (CID 43228540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).