2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid

C15H21NO3 — CID 102535848

IUPAC2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC2CCCCC2)c1
InChIInChI=1S/C15H21NO3/c17-15(18)11-19-14-8-4-5-12(9-14)10-16-13-6-2-1-3-7-13/h4-5,8-9,13,16H,1-3,6-7,10-11H2,(H,17,18)
InChIKeyJVJXGOHBKCNBKX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.57
Rot. Bonds6

About 2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid

2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid (PubChem CID 102535848) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
PubChem CID102535848
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC2CCCCC2)c1
InChIInChI=1S/C15H21NO3/c17-15(18)11-19-14-8-4-5-12(9-14)10-16-13-6-2-1-3-7-13/h4-5,8-9,13,16H,1-3,6-7,10-11H2,(H,17,18)
InChIKeyJVJXGOHBKCNBKX-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid
CID 119246566
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[(3-prop-2-ynoxyphenyl)methyl]cyclohexanamine
CID 94074251
2-[3-[[[4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzoyl]amino]methyl]phenoxy]acetic acid
CID 70940444
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
2-[3-[[(1,1-dioxothiane-2-carbonyl)amino]methyl]phenoxy]acetic acid
CID 120527385
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
2-[[6-(benzylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetic acid
CID 18007434
2-[3-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]phenoxy]acetic acid
CID 119246413
N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine
CID 17213620
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid (CID 102535848) is 2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid is O=C(O)COc1cccc(CNC2CCCCC2)c1.
What is the InChIKey of 2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid?
The InChIKey is JVJXGOHBKCNBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-15(18)11-19-14-8-4-5-12(9-14)10-16-13-6-2-1-3-7-13/h4-5,8-9,13,16H,1-3,6-7,10-11H2,(H,17,18).
What are the key properties of 2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid?
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid is sourced from PubChem (CID 102535848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).