4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid

C20H29NO2 — CID 122031272

IUPAC4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H29NO2/c22-20(23)18-10-12-19(13-11-18)21-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-5,15,17-19,21H,6-14H2,(H,22,23)
InChIKeyMIZWQJHADBJYDG-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.19
Rot. Bonds5

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

4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 122031272) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID122031272
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H29NO2/c22-20(23)18-10-12-19(13-11-18)21-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-5,15,17-19,21H,6-14H2,(H,22,23)
InChIKeyMIZWQJHADBJYDG-UHFFFAOYSA-N
XLogP4.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride
CID 19935156
N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine
CID 62385559
4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79977776
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119624456
4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532071
4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79971547
N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 115572811
4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122039059
2-[ethyl-[3-[(4-phenylcyclohexyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042345
1-[(4-phenylcyclohexyl)methyl]azetidine-3-carboxylic acid
CID 122046802
4-[(2-bromophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810049
(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid
CID 122038120

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid (CID 122031272) is 4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCC2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is MIZWQJHADBJYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c22-20(23)18-10-12-19(13-11-18)21-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-5,15,17-19,21H,6-14H2,(H,22,23).
What are the key properties of 4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 315.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122031272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).