2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline

C15H16ClNO2 — CID 11460105

IUPAC2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline
SMILESNc1ccccc1OCc1ccc(OCCCl)cc1
InChIInChI=1S/C15H16ClNO2/c16-9-10-18-13-7-5-12(6-8-13)11-19-15-4-2-1-3-14(15)17/h1-8H,9-11,17H2
InChIKeyXHYHMWSJGQKOEJ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.47
Rot. Bonds6

About 2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline

2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline (PubChem CID 11460105) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline.

Molecular Properties

Compound Name2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline
PubChem CID11460105
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline
SMILESNc1ccccc1OCc1ccc(OCCCl)cc1
InChIInChI=1S/C15H16ClNO2/c16-9-10-18-13-7-5-12(6-8-13)11-19-15-4-2-1-3-14(15)17/h1-8H,9-11,17H2
InChIKeyXHYHMWSJGQKOEJ-UHFFFAOYSA-N
XLogP3.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-[10-(4-aminophenoxy)decoxy]aniline
CID 146356244
2-(pyridin-4-ylmethoxy)aniline
CID 16788077
2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline
CID 139627675
2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
propyl 4-[(2-aminophenoxy)methyl]benzoate
CID 39109159
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516
2-[(2-chloro-4-pyridinyl)methoxy]aniline
CID 62469846
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
3-phenylmethoxybenzene-1,2-diamine;hydrochloride
CID 172882825
butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene
CID 123962900

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline?
The IUPAC name of 2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline (CID 11460105) is 2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline.
What is the SMILES notation for 2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline?
The canonical SMILES for 2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline is Nc1ccccc1OCc1ccc(OCCCl)cc1.
What is the InChIKey of 2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline?
The InChIKey is XHYHMWSJGQKOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-9-10-18-13-7-5-12(6-8-13)11-19-15-4-2-1-3-14(15)17/h1-8H,9-11,17H2.
What are the key properties of 2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline?
2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline has a molecular weight of 277.75 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline is sourced from PubChem (CID 11460105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).