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

C18H25NO3 — CID 122031371

IUPAC4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccccc2OC2CCC2)CC1
InChIInChI=1S/C18H25NO3/c20-18(21)13-8-10-15(11-9-13)19-12-14-4-1-2-7-17(14)22-16-5-3-6-16/h1-2,4,7,13,15-16,19H,3,5-6,8-12H2,(H,20,21)
InChIKeyRZUTXKCNYPQBRM-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.35
Rot. Bonds6

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

4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 122031371) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID122031371
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccccc2OC2CCC2)CC1
InChIInChI=1S/C18H25NO3/c20-18(21)13-8-10-15(11-9-13)19-12-14-4-1-2-7-17(14)22-16-5-3-6-16/h1-2,4,7,13,15-16,19H,3,5-6,8-12H2,(H,20,21)
InChIKeyRZUTXKCNYPQBRM-UHFFFAOYSA-N
XLogP3.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509881
N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide
CID 99634765
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553
4-[(2-butoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509937
4-[(2-bromophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810049
4-[(2-hydroxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054526
4-[(2-methoxy-4-phenylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509709
4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509661
N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 63558326
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
CID 120913321
3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119796168

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid (CID 122031371) is 4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCc2ccccc2OC2CCC2)CC1.
What is the InChIKey of 4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RZUTXKCNYPQBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-18(21)13-8-10-15(11-9-13)19-12-14-4-1-2-7-17(14)22-16-5-3-6-16/h1-2,4,7,13,15-16,19H,3,5-6,8-12H2,(H,20,21).
What are the key properties of 4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122031371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).