2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride

C14H20ClNO2 — CID 17156907

IUPAC2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccccc1CNC1CCCCC1
InChIInChI=1S/C14H19NO2.ClH/c16-14(17)13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12;/h4-6,9,12,15H,1-3,7-8,10H2,(H,16,17);1H
InChIKeyHXEMPMMIXWLYIV-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.23
Rot. Bonds4

About 2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride

2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride (PubChem CID 17156907) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride.

Molecular Properties

Compound Name2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
PubChem CID17156907
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccccc1CNC1CCCCC1
InChIInChI=1S/C14H19NO2.ClH/c16-14(17)13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12;/h4-6,9,12,15H,1-3,7-8,10H2,(H,16,17);1H
InChIKeyHXEMPMMIXWLYIV-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908
2-[[[3,5-bis[(2-carboxyphenyl)methylamino]cyclohexyl]amino]methyl]benzoic acid
CID 102081252
2-[2-(cyclopentylamino)ethyl]benzoic acid
CID 82934034
2-[(oxolan-3-ylamino)methyl]benzoic acid
CID 103258434
2-[[(3,5-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103254565
2-[(cyclopentyloxyamino)methyl]benzoic acid
CID 103262137
2-[[(3,4-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103253362
[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
CID 115592493
2-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251682
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578
N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861
2-[[[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]benzoic acid;dihydrochloride
CID 122641273

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride?
The IUPAC name of 2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride (CID 17156907) is 2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride.
What is the SMILES notation for 2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride?
The canonical SMILES for 2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride is Cl.O=C(O)c1ccccc1CNC1CCCCC1.
What is the InChIKey of 2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride?
The InChIKey is HXEMPMMIXWLYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c16-14(17)13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12;/h4-6,9,12,15H,1-3,7-8,10H2,(H,16,17);1H.
What are the key properties of 2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride?
2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride is sourced from PubChem (CID 17156907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).