4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid

C17H25NO2 — CID 62215760

IUPAC4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
SMILESCCCC1CCC(NCc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C17H25NO2/c1-2-3-13-6-10-16(11-7-13)18-12-14-4-8-15(9-5-14)17(19)20/h4-5,8-9,13,16,18H,2-3,6-7,10-12H2,1H3,(H,19,20)
InChIKeyUEZHKSOZQUHGKY-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.83
Rot. Bonds6

About 4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid

4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid (PubChem CID 62215760) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
PubChem CID62215760
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
SMILESCCCC1CCC(NCc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C17H25NO2/c1-2-3-13-6-10-16(11-7-13)18-12-14-4-8-15(9-5-14)17(19)20/h4-5,8-9,13,16,18H,2-3,6-7,10-12H2,1H3,(H,19,20)
InChIKeyUEZHKSOZQUHGKY-UHFFFAOYSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
4-[[(4-cyclopropylcyclohexyl)amino]methyl]benzoic acid
CID 22501789
3-bromo-4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
CID 103245649
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
4-[2-[4-[(cyclopropylamino)methyl]phenyl]ethynyl]benzoic acid
CID 122494547
4-[(cyclooctylamino)methyl]benzoic acid;hydrochloride
CID 17158513
4-propyl-N-[(4-trimethylsilylphenyl)methyl]cyclohexan-1-amine
CID 103437694
4-[(oxan-4-ylamino)methyl]benzoic acid
CID 55049124
4-[[(1-methylpyrrolidin-3-yl)amino]methyl]benzoic acid
CID 55049267
4-[[(1,1-dioxothian-4-yl)amino]methyl]benzoic acid
CID 62217623
1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 78903887
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid (CID 62215760) is 4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid is CCCC1CCC(NCc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid?
The InChIKey is UEZHKSOZQUHGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-3-13-6-10-16(11-7-13)18-12-14-4-8-15(9-5-14)17(19)20/h4-5,8-9,13,16,18H,2-3,6-7,10-12H2,1H3,(H,19,20).
What are the key properties of 4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid?
4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid is sourced from PubChem (CID 62215760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).