N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine

C21H25Cl2NO — CID 4720065

IUPACN-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
SMILESClc1ccc(COc2ccccc2CNC2CCCCCC2)c(Cl)c1
InChIInChI=1S/C21H25Cl2NO/c22-18-12-11-17(20(23)13-18)15-25-21-10-6-5-7-16(21)14-24-19-8-3-1-2-4-9-19/h5-7,10-13,19,24H,1-4,8-9,14-15H2
InChIKeyRKWDGDLHNGXPKR-UHFFFAOYSA-N
MW378.34 g/mol
LogP6.38
Rot. Bonds6

About N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine

N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine (PubChem CID 4720065) has the molecular formula C21H25Cl2NO and a molecular weight of 378.34 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
PubChem CID4720065
Molecular FormulaC21H25Cl2NO
Molecular Weight378.34 g/mol
Exact Mass377.13
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
SMILESClc1ccc(COc2ccccc2CNC2CCCCCC2)c(Cl)c1
InChIInChI=1S/C21H25Cl2NO/c22-18-12-11-17(20(23)13-18)15-25-21-10-6-5-7-16(21)14-24-19-8-3-1-2-4-9-19/h5-7,10-13,19,24H,1-4,8-9,14-15H2
InChIKeyRKWDGDLHNGXPKR-UHFFFAOYSA-N
XLogP6.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331493
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723073
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723049
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331546
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine;hydrochloride
CID 17331509
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride
CID 17294822
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 2950069
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 4722443
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]cyclohexanamine
CID 4721498
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17295145
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 4722191
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride
CID 17296024

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine (CID 4720065) is N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine is Clc1ccc(COc2ccccc2CNC2CCCCCC2)c(Cl)c1.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine?
The InChIKey is RKWDGDLHNGXPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO/c22-18-12-11-17(20(23)13-18)15-25-21-10-6-5-7-16(21)14-24-19-8-3-1-2-4-9-19/h5-7,10-13,19,24H,1-4,8-9,14-15H2.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine?
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine has a molecular weight of 378.34 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine is sourced from PubChem (CID 4720065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).