2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid

C17H25NO3 — CID 65243426

IUPAC2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid
SMILESCN(CCOc1ccccc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C17H25NO3/c1-18(12-13-21-15-8-4-2-5-9-15)17(14-16(19)20)10-6-3-7-11-17/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,19,20)
InChIKeyMYYPPAQRVZOGIP-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.17
Rot. Bonds7

About 2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid

2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid (PubChem CID 65243426) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid
PubChem CID65243426
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid
SMILESCN(CCOc1ccccc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C17H25NO3/c1-18(12-13-21-15-8-4-2-5-9-15)17(14-16(19)20)10-6-3-7-11-17/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,19,20)
InChIKeyMYYPPAQRVZOGIP-UHFFFAOYSA-N
XLogP3.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid
CID 65242856
2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid
CID 65242660
2-[1-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]acetic acid
CID 79354977
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine
CID 62008932
2-[1-[(3-hydroxyphenyl)methyl-methylamino]cyclohexyl]acetic acid
CID 65243007
N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine
CID 78915355
2-[1-[(2-phenoxyacetyl)amino]cyclopentyl]acetic acid
CID 64673162
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid
CID 65240642
N-methyl-N-(2-phenoxyethyl)formamide
CID 64992361
2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid
CID 65242738

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid (CID 65243426) is 2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid is CN(CCOc1ccccc1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid?
The InChIKey is MYYPPAQRVZOGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-18(12-13-21-15-8-4-2-5-9-15)17(14-16(19)20)10-6-3-7-11-17/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,19,20).
What are the key properties of 2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid has a molecular weight of 291.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65243426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).