2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid

C21H25NO3 — CID 113242302

IUPAC2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H25NO3/c23-21(24)20-8-4-7-18(20)14-22-13-16-9-11-19(12-10-16)25-15-17-5-2-1-3-6-17/h1-3,5-6,9-12,18,20,22H,4,7-8,13-15H2,(H,23,24)
InChIKeyGKNPZUWRVGVCGH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.86
Rot. Bonds8

About 2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid

2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 113242302) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID113242302
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H25NO3/c23-21(24)20-8-4-7-18(20)14-22-13-16-9-11-19(12-10-16)25-15-17-5-2-1-3-6-17/h1-3,5-6,9-12,18,20,22H,4,7-8,13-15H2,(H,23,24)
InChIKeyGKNPZUWRVGVCGH-UHFFFAOYSA-N
XLogP3.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid
CID 115529683
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111438140
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]acetamide
CID 22421272
2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283171
cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674882
2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 18969682
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
3-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712143
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid (CID 113242302) is 2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1CNCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is GKNPZUWRVGVCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c23-21(24)20-8-4-7-18(20)14-22-13-16-9-11-19(12-10-16)25-15-17-5-2-1-3-6-17/h1-3,5-6,9-12,18,20,22H,4,7-8,13-15H2,(H,23,24).
What are the key properties of 2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 339.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113242302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).