2-chloro-4-(4-methoxybutoxy)aniline

C11H16ClNO2 — CID 104646773

IUPAC2-chloro-4-(4-methoxybutoxy)aniline
SMILESCOCCCCOc1ccc(N)c(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-14-6-2-3-7-15-9-4-5-11(13)10(12)8-9/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyLQZADGMILCJFDV-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.73
Rot. Bonds6

About 2-chloro-4-(4-methoxybutoxy)aniline

2-chloro-4-(4-methoxybutoxy)aniline (PubChem CID 104646773) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxybutoxy)aniline.

Molecular Properties

Compound Name2-chloro-4-(4-methoxybutoxy)aniline
PubChem CID104646773
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-chloro-4-(4-methoxybutoxy)aniline
SMILESCOCCCCOc1ccc(N)c(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-14-6-2-3-7-15-9-4-5-11(13)10(12)8-9/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyLQZADGMILCJFDV-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587870
4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline
CID 62112283
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615
4-methoxybutyl 4-amino-3-chlorobenzoate
CID 104648957
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
N-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 2581257
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721688
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
2-chloro-4-(2-methoxyethoxy)phenol
CID 125116302
2-chloro-4-(3-methylbut-2-enoxy)aniline
CID 107899486
2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63992724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methoxybutoxy)aniline?
The IUPAC name of 2-chloro-4-(4-methoxybutoxy)aniline (CID 104646773) is 2-chloro-4-(4-methoxybutoxy)aniline.
What is the SMILES notation for 2-chloro-4-(4-methoxybutoxy)aniline?
The canonical SMILES for 2-chloro-4-(4-methoxybutoxy)aniline is COCCCCOc1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(4-methoxybutoxy)aniline?
The InChIKey is LQZADGMILCJFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-14-6-2-3-7-15-9-4-5-11(13)10(12)8-9/h4-5,8H,2-3,6-7,13H2,1H3.
What are the key properties of 2-chloro-4-(4-methoxybutoxy)aniline?
2-chloro-4-(4-methoxybutoxy)aniline has a molecular weight of 229.71 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methoxybutoxy)aniline is sourced from PubChem (CID 104646773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).