4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid

C21H24ClNO3 — CID 122031584

IUPAC4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1C(NC1CCC(C(=O)O)CC1)c1ccccc1Cl
InChIInChI=1S/C21H24ClNO3/c1-26-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)22)23-15-12-10-14(11-13-15)21(24)25/h2-9,14-15,20,23H,10-13H2,1H3,(H,24,25)
InChIKeyPQIZTMZXAGANPX-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.67
Rot. Bonds6

About 4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid

4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122031584) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122031584
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1C(NC1CCC(C(=O)O)CC1)c1ccccc1Cl
InChIInChI=1S/C21H24ClNO3/c1-26-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)22)23-15-12-10-14(11-13-15)21(24)25/h2-9,14-15,20,23H,10-13H2,1H3,(H,24,25)
InChIKeyPQIZTMZXAGANPX-UHFFFAOYSA-N
XLogP4.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938818
N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097068
1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone
CID 122146754
N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide
CID 97341188
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 122034889
N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine
CID 75420160
4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054573
methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
CID 60727132
1-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]piperidine-4-carboxylic acid
CID 3964114
4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid
CID 103466167
4-[(2-hydroxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054526

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid (CID 122031584) is 4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid is COc1ccccc1C(NC1CCC(C(=O)O)CC1)c1ccccc1Cl.
What is the InChIKey of 4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is PQIZTMZXAGANPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-26-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)22)23-15-12-10-14(11-13-15)21(24)25/h2-9,14-15,20,23H,10-13H2,1H3,(H,24,25).
What are the key properties of 4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid?
4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 373.88 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122031584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).