N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine

C22H27Cl2NO — CID 35697968

IUPACN-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine
SMILESCc1ccc(COc2c(Cl)cc(Cl)cc2CNC2CCCCCC2)cc1
InChIInChI=1S/C22H27Cl2NO/c1-16-8-10-17(11-9-16)15-26-22-18(12-19(23)13-21(22)24)14-25-20-6-4-2-3-5-7-20/h8-13,20,25H,2-7,14-15H2,1H3
InChIKeyGTQDMDRWCCJRLI-UHFFFAOYSA-N
MW392.37 g/mol
LogP6.69
Rot. Bonds6

About N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine

N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine (PubChem CID 35697968) has the molecular formula C22H27Cl2NO and a molecular weight of 392.37 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine
PubChem CID35697968
Molecular FormulaC22H27Cl2NO
Molecular Weight392.37 g/mol
Exact Mass391.15
IUPAC NameN-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine
SMILESCc1ccc(COc2c(Cl)cc(Cl)cc2CNC2CCCCCC2)cc1
InChIInChI=1S/C22H27Cl2NO/c1-16-8-10-17(11-9-16)15-26-22-18(12-19(23)13-21(22)24)14-25-20-6-4-2-3-5-7-20/h8-13,20,25H,2-7,14-15H2,1H3
InChIKeyGTQDMDRWCCJRLI-UHFFFAOYSA-N
XLogP6.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.37
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156494
N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43515875
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 35697691
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 35697832
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 35697855
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 17055759
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158349
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17055758
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride
CID 70789913
N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17054688
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 35697888

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine?
The IUPAC name of N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine (CID 35697968) is N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine.
What is the SMILES notation for N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine?
The canonical SMILES for N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine is Cc1ccc(COc2c(Cl)cc(Cl)cc2CNC2CCCCCC2)cc1.
What is the InChIKey of N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine?
The InChIKey is GTQDMDRWCCJRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO/c1-16-8-10-17(11-9-16)15-26-22-18(12-19(23)13-21(22)24)14-25-20-6-4-2-3-5-7-20/h8-13,20,25H,2-7,14-15H2,1H3.
What are the key properties of N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine?
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine has a molecular weight of 392.37 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine is sourced from PubChem (CID 35697968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).