N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine

C20H23Cl2NO2 — CID 4719319

IUPACN-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
SMILESCOc1cc(CNC2CCCC2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H23Cl2NO2/c1-24-20-11-14(12-23-16-4-2-3-5-16)7-9-19(20)25-13-15-6-8-17(21)18(22)10-15/h6-11,16,23H,2-5,12-13H2,1H3
InChIKeyLBXDQVXZGGFHGI-UHFFFAOYSA-N
MW380.32 g/mol
LogP5.61
Rot. Bonds7

About N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine

N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine (PubChem CID 4719319) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
PubChem CID4719319
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC NameN-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
SMILESCOc1cc(CNC2CCCC2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H23Cl2NO2/c1-24-20-11-14(12-23-16-4-2-3-5-16)7-9-19(20)25-13-15-6-8-17(21)18(22)10-15/h6-11,16,23H,2-5,12-13H2,1H3
InChIKeyLBXDQVXZGGFHGI-UHFFFAOYSA-N
XLogP5.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 66535438
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 17056841
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294662
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294391
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294671
5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 132912487

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine (CID 4719319) is N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine is COc1cc(CNC2CCCC2)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine?
The InChIKey is LBXDQVXZGGFHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-24-20-11-14(12-23-16-4-2-3-5-16)7-9-19(20)25-13-15-6-8-17(21)18(22)10-15/h6-11,16,23H,2-5,12-13H2,1H3.
What are the key properties of N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine?
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine has a molecular weight of 380.32 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine is sourced from PubChem (CID 4719319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).