N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine

C22H29NO — CID 4723001

IUPACN-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
SMILESc1ccc(COc2ccc(CNC3CCCCCCC3)cc2)cc1
InChIInChI=1S/C22H29NO/c1-2-7-11-21(12-8-3-1)23-17-19-13-15-22(16-14-19)24-18-20-9-5-4-6-10-20/h4-6,9-10,13-16,21,23H,1-3,7-8,11-12,17-18H2
InChIKeyUOSSVRYBIWADKF-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.47
Rot. Bonds6

About N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine

N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine (PubChem CID 4723001) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
PubChem CID4723001
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC NameN-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
SMILESc1ccc(COc2ccc(CNC3CCCCCCC3)cc2)cc1
InChIInChI=1S/C22H29NO/c1-2-7-11-21(12-8-3-1)23-17-19-13-15-22(16-14-19)24-18-20-9-5-4-6-10-20/h4-6,9-10,13-16,21,23H,1-3,7-8,11-12,17-18H2
InChIKeyUOSSVRYBIWADKF-UHFFFAOYSA-N
XLogP5.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
benzene;N-benzylcyclohexanamine
CID 142622843
N-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine
CID 155893915
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 4715574
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine
CID 171349576
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine (CID 4723001) is N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine is c1ccc(COc2ccc(CNC3CCCCCCC3)cc2)cc1.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine?
The InChIKey is UOSSVRYBIWADKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-2-7-11-21(12-8-3-1)23-17-19-13-15-22(16-14-19)24-18-20-9-5-4-6-10-20/h4-6,9-10,13-16,21,23H,1-3,7-8,11-12,17-18H2.
What are the key properties of N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine?
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine has a molecular weight of 323.48 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine is sourced from PubChem (CID 4723001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).