N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine

C15H22ClNO2 — CID 834342

IUPACN-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
SMILESCOc1cc(CNC2CCCCC2)cc(Cl)c1OC
InChIInChI=1S/C15H22ClNO2/c1-18-14-9-11(8-13(16)15(14)19-2)10-17-12-6-4-3-5-7-12/h8-9,12,17H,3-7,10H2,1-2H3
InChIKeyDDQURXYJUQBVKD-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.78
Rot. Bonds5

About N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine (PubChem CID 834342) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
PubChem CID834342
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
SMILESCOc1cc(CNC2CCCCC2)cc(Cl)c1OC
InChIInChI=1S/C15H22ClNO2/c1-18-14-9-11(8-13(16)15(14)19-2)10-17-12-6-4-3-5-7-12/h8-9,12,17H,3-7,10H2,1-2H3
InChIKeyDDQURXYJUQBVKD-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43223600
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 43792280
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17295387
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 4720875
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 4721628
N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 51138205
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081610
N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17295895
N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine
CID 4717339

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine (CID 834342) is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine is COc1cc(CNC2CCCCC2)cc(Cl)c1OC.
What is the InChIKey of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine?
The InChIKey is DDQURXYJUQBVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-18-14-9-11(8-13(16)15(14)19-2)10-17-12-6-4-3-5-7-12/h8-9,12,17H,3-7,10H2,1-2H3.
What are the key properties of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine?
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine has a molecular weight of 283.80 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 834342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).