N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine

C16H24ClNO — CID 21435425

IUPACN-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
SMILESCOc1cc(CNC2CCCCCCC2)ccc1Cl
InChIInChI=1S/C16H24ClNO/c1-19-16-11-13(9-10-15(16)17)12-18-14-7-5-3-2-4-6-8-14/h9-11,14,18H,2-8,12H2,1H3
InChIKeyIJEGTXNHGSZLGW-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.55
Rot. Bonds4

About N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine

N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine (PubChem CID 21435425) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
PubChem CID21435425
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
SMILESCOc1cc(CNC2CCCCCCC2)ccc1Cl
InChIInChI=1S/C16H24ClNO/c1-19-16-11-13(9-10-15(16)17)12-18-14-7-5-3-2-4-6-8-14/h9-11,14,18H,2-8,12H2,1H3
InChIKeyIJEGTXNHGSZLGW-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294662
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17295387
N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158351
4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
CID 28609983
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine (CID 21435425) is N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine is COc1cc(CNC2CCCCCCC2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine?
The InChIKey is IJEGTXNHGSZLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-19-16-11-13(9-10-15(16)17)12-18-14-7-5-3-2-4-6-8-14/h9-11,14,18H,2-8,12H2,1H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine?
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine has a molecular weight of 281.83 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine is sourced from PubChem (CID 21435425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).