5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline

C14H22ClNO2 — CID 43095051

IUPAC5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H22ClNO2/c1-5-6-10(2)9-16-12-7-11(15)13(17-3)8-14(12)18-4/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyPLSBSPKQGGEMAN-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.21
Rot. Bonds7

About 5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline

5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline (PubChem CID 43095051) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline
PubChem CID43095051
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H22ClNO2/c1-5-6-10(2)9-16-12-7-11(15)13(17-3)8-14(12)18-4/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyPLSBSPKQGGEMAN-UHFFFAOYSA-N
XLogP4.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropan-1-ol
CID 113343821
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropanoate
CID 43538463
4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline
CID 63487753
5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline
CID 61483778
5-chloro-2-ethoxy-N-(2-methylpentyl)aniline
CID 63451076
2-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 115198315
5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline
CID 43387887
3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol
CID 115871898
N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine
CID 28576071
3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide
CID 43312033
2,4,6-trichloro-N-(2-methylpentyl)aniline
CID 43126426
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline?
The IUPAC name of 5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline (CID 43095051) is 5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline.
What is the SMILES notation for 5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline?
The canonical SMILES for 5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline is CCCC(C)CNc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of 5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline?
The InChIKey is PLSBSPKQGGEMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-5-6-10(2)9-16-12-7-11(15)13(17-3)8-14(12)18-4/h7-8,10,16H,5-6,9H2,1-4H3.
What are the key properties of 5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline?
5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline has a molecular weight of 271.79 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline is sourced from PubChem (CID 43095051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).