2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate

C14H18ClNO2 — CID 82533475

IUPAC2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate
SMILESO=C(OCCNCc1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C14H18ClNO2/c15-13-6-4-11(5-7-13)10-16-8-9-18-14(17)12-2-1-3-12/h4-7,12,16H,1-3,8-10H2
InChIKeyWAXMBEJQDKPROX-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.77
Rot. Bonds6

About 2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate

2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate (PubChem CID 82533475) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate
PubChem CID82533475
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate
SMILESO=C(OCCNCc1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C14H18ClNO2/c15-13-6-4-11(5-7-13)10-16-8-9-18-14(17)12-2-1-3-12/h4-7,12,16H,1-3,8-10H2
InChIKeyWAXMBEJQDKPROX-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653224
2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate
CID 82532965
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
2-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
3-[(4-chlorophenyl)methylamino]propyl 2-methoxyacetate
CID 82533468
(2,4-dichlorophenyl)methyl cyclobutanecarboxylate
CID 2374200
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
ethyl 1-[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]piperidine-4-carboxylate
CID 44995824
[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2356187
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932594
4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 43232715

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate (CID 82533475) is 2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate is O=C(OCCNCc1ccc(Cl)cc1)C1CCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate?
The InChIKey is WAXMBEJQDKPROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-13-6-4-11(5-7-13)10-16-8-9-18-14(17)12-2-1-3-12/h4-7,12,16H,1-3,8-10H2.
What are the key properties of 2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate?
2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate has a molecular weight of 267.76 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate is sourced from PubChem (CID 82533475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).