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

C19H27NO3 — CID 120509881

IUPAC4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccccc2OC2CCCC2)CC1
InChIInChI=1S/C19H27NO3/c21-19(22)14-9-11-16(12-10-14)20-13-15-5-1-4-8-18(15)23-17-6-2-3-7-17/h1,4-5,8,14,16-17,20H,2-3,6-7,9-13H2,(H,21,22)
InChIKeyLHHBWJLWVGRZGB-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.74
Rot. Bonds6

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

4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120509881) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID120509881
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccccc2OC2CCCC2)CC1
InChIInChI=1S/C19H27NO3/c21-19(22)14-9-11-16(12-10-14)20-13-15-5-1-4-8-18(15)23-17-6-2-3-7-17/h1,4-5,8,14,16-17,20H,2-3,6-7,9-13H2,(H,21,22)
InChIKeyLHHBWJLWVGRZGB-UHFFFAOYSA-N
XLogP3.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031371
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
2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
CID 120913321
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
N-[(2-cyclopentyloxyphenyl)methyl]aniline
CID 39366714
4-[(2-methoxy-4-phenylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509709
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509661

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid (CID 120509881) is 4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCc2ccccc2OC2CCCC2)CC1.
What is the InChIKey of 4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is LHHBWJLWVGRZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c21-19(22)14-9-11-16(12-10-14)20-13-15-5-1-4-8-18(15)23-17-6-2-3-7-17/h1,4-5,8,14,16-17,20H,2-3,6-7,9-13H2,(H,21,22).
What are the key properties of 4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120509881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).