N-[(2-aminophenyl)methyl]cyclooctanamine

C15H24N2 — CID 66385631

IUPACN-[(2-aminophenyl)methyl]cyclooctanamine
SMILESNc1ccccc1CNC1CCCCCCC1
InChIInChI=1S/C15H24N2/c16-15-11-7-6-8-13(15)12-17-14-9-4-2-1-3-5-10-14/h6-8,11,14,17H,1-5,9-10,12,16H2
InChIKeyCDERUBASDLBOFY-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.47
Rot. Bonds3

About N-[(2-aminophenyl)methyl]cyclooctanamine

N-[(2-aminophenyl)methyl]cyclooctanamine (PubChem CID 66385631) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]cyclooctanamine
PubChem CID66385631
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(2-aminophenyl)methyl]cyclooctanamine
SMILESNc1ccccc1CNC1CCCCCCC1
InChIInChI=1S/C15H24N2/c16-15-11-7-6-8-13(15)12-17-14-9-4-2-1-3-5-10-14/h6-8,11,14,17H,1-5,9-10,12,16H2
InChIKeyCDERUBASDLBOFY-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
2-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114543904
N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine
CID 70450840
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 66387456
[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
CID 115592493
3-amino-4-[(cyclopentylamino)methyl]phenol
CID 117220836
2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline
CID 66418811
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]cyclooctanamine?
The IUPAC name of N-[(2-aminophenyl)methyl]cyclooctanamine (CID 66385631) is N-[(2-aminophenyl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]cyclooctanamine?
The canonical SMILES for N-[(2-aminophenyl)methyl]cyclooctanamine is Nc1ccccc1CNC1CCCCCCC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]cyclooctanamine?
The InChIKey is CDERUBASDLBOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c16-15-11-7-6-8-13(15)12-17-14-9-4-2-1-3-5-10-14/h6-8,11,14,17H,1-5,9-10,12,16H2.
What are the key properties of N-[(2-aminophenyl)methyl]cyclooctanamine?
N-[(2-aminophenyl)methyl]cyclooctanamine has a molecular weight of 232.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]cyclooctanamine is sourced from PubChem (CID 66385631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).