4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid

C16H23NO3 — CID 60809553

IUPAC4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESCCOc1ccccc1CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H23NO3/c1-2-20-15-6-4-3-5-13(15)11-17-14-9-7-12(8-10-14)16(18)19/h3-6,12,14,17H,2,7-11H2,1H3,(H,18,19)
InChIKeyDAKKWVICWPJDPR-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.82
Rot. Bonds6

About 4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid

4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 60809553) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID60809553
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESCCOc1ccccc1CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H23NO3/c1-2-20-15-6-4-3-5-13(15)11-17-14-9-7-12(8-10-14)16(18)19/h3-6,12,14,17H,2,7-11H2,1H3,(H,18,19)
InChIKeyDAKKWVICWPJDPR-UHFFFAOYSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-butoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509937
4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031371
4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509881
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
4-[(2-hydroxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054526
N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 62801536
4-[(2-bromophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810049
4-[(3-ethoxy-4-hydroxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054528
4-[2-(5-chloro-2-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122032254
4-[(4-ethoxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509717
4-[(2-methoxy-4-phenylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509709
4-[(2-chloro-6-ethylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509713

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid (CID 60809553) is 4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid is CCOc1ccccc1CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is DAKKWVICWPJDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-20-15-6-4-3-5-13(15)11-17-14-9-7-12(8-10-14)16(18)19/h3-6,12,14,17H,2,7-11H2,1H3,(H,18,19).
What are the key properties of 4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).