4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid

C22H27NO4 — CID 120509612

IUPAC4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(CNC2CCC(C(=O)O)CC2)cc1OCc1ccccc1
InChIInChI=1S/C22H27NO4/c1-26-20-12-7-17(13-21(20)27-15-16-5-3-2-4-6-16)14-23-19-10-8-18(9-11-19)22(24)25/h2-7,12-13,18-19,23H,8-11,14-15H2,1H3,(H,24,25)
InChIKeyUDTSQJOJCNQGIZ-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.01
Rot. Bonds8

About 4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid

4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120509612) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID120509612
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(CNC2CCC(C(=O)O)CC2)cc1OCc1ccccc1
InChIInChI=1S/C22H27NO4/c1-26-20-12-7-17(13-21(20)27-15-16-5-3-2-4-6-16)14-23-19-10-8-18(9-11-19)22(24)25/h2-7,12-13,18-19,23H,8-11,14-15H2,1H3,(H,24,25)
InChIKeyUDTSQJOJCNQGIZ-UHFFFAOYSA-N
XLogP4.01
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethoxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509717
N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine
CID 59494923
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
4-[(4-methoxy-3-nitrophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509874
4-[(3-ethoxy-4-hydroxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054528
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 122040812
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 43278862
4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid
CID 171115881
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine
CID 119124561

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid (CID 120509612) is 4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid is COc1ccc(CNC2CCC(C(=O)O)CC2)cc1OCc1ccccc1.
What is the InChIKey of 4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is UDTSQJOJCNQGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-26-20-12-7-17(13-21(20)27-15-16-5-3-2-4-6-16)14-23-19-10-8-18(9-11-19)22(24)25/h2-7,12-13,18-19,23H,8-11,14-15H2,1H3,(H,24,25).
What are the key properties of 4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 369.46 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120509612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).