(4-chlorophenyl)-cyclooctylmethanamine

C15H22ClN — CID 65018889

IUPAC(4-chlorophenyl)-cyclooctylmethanamine
SMILESNC(c1ccc(Cl)cc1)C1CCCCCCC1
InChIInChI=1S/C15H22ClN/c16-14-10-8-13(9-11-14)15(17)12-6-4-2-1-3-5-7-12/h8-12,15H,1-7,17H2
InChIKeyYFBPKCPQMSEDFU-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.70
Rot. Bonds2

About (4-chlorophenyl)-cyclooctylmethanamine

(4-chlorophenyl)-cyclooctylmethanamine (PubChem CID 65018889) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is (4-chlorophenyl)-cyclooctylmethanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-cyclooctylmethanamine
PubChem CID65018889
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name(4-chlorophenyl)-cyclooctylmethanamine
SMILESNC(c1ccc(Cl)cc1)C1CCCCCCC1
InChIInChI=1S/C15H22ClN/c16-14-10-8-13(9-11-14)15(17)12-6-4-2-1-3-5-7-12/h8-12,15H,1-7,17H2
InChIKeyYFBPKCPQMSEDFU-UHFFFAOYSA-N
XLogP4.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
cyclohexyl-(3,5-dichlorophenyl)methanamine
CID 114981427
(R)-cyclohexyl-(4-iodophenyl)methanamine
CID 171202889
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
cyclohexyl(phenyl)methanamine
CID 11064121
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
cyclopentyl-(4-phenylphenyl)methanamine
CID 43098534
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine
CID 114519512

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-cyclooctylmethanamine?
The IUPAC name of (4-chlorophenyl)-cyclooctylmethanamine (CID 65018889) is (4-chlorophenyl)-cyclooctylmethanamine.
What is the SMILES notation for (4-chlorophenyl)-cyclooctylmethanamine?
The canonical SMILES for (4-chlorophenyl)-cyclooctylmethanamine is NC(c1ccc(Cl)cc1)C1CCCCCCC1.
What is the InChIKey of (4-chlorophenyl)-cyclooctylmethanamine?
The InChIKey is YFBPKCPQMSEDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c16-14-10-8-13(9-11-14)15(17)12-6-4-2-1-3-5-7-12/h8-12,15H,1-7,17H2.
What are the key properties of (4-chlorophenyl)-cyclooctylmethanamine?
(4-chlorophenyl)-cyclooctylmethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-cyclooctylmethanamine is sourced from PubChem (CID 65018889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).