N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine

C21H17Cl4NO — CID 4715702

IUPACN-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
SMILESClc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C21H17Cl4NO/c22-17-7-8-21(27-13-15-5-6-18(23)10-20(15)25)16(9-17)12-26-11-14-3-1-2-4-19(14)24/h1-10,26H,11-13H2
InChIKeyFCMGZGBDNNPPQD-UHFFFAOYSA-N
MW441.19 g/mol
LogP7.17
Rot. Bonds7

About N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine

N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine (PubChem CID 4715702) has the molecular formula C21H17Cl4NO and a molecular weight of 441.19 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
PubChem CID4715702
Molecular FormulaC21H17Cl4NO
Molecular Weight441.19 g/mol
Exact Mass439.01
IUPAC NameN-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
SMILESClc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C21H17Cl4NO/c22-17-7-8-21(27-13-15-5-6-18(23)10-20(15)25)16(9-17)12-26-11-14-3-1-2-4-19(14)24/h1-10,26H,11-13H2
InChIKeyFCMGZGBDNNPPQD-UHFFFAOYSA-N
XLogP7.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.19
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290924
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209562
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17293135
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
CID 17291027
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine
CID 4723186
1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
CID 4715632
2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155290
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207299
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721823
1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295476
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 17289311

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine?
The IUPAC name of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine (CID 4715702) is N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine.
What is the SMILES notation for N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine?
The canonical SMILES for N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine is Clc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine?
The InChIKey is FCMGZGBDNNPPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl4NO/c22-17-7-8-21(27-13-15-5-6-18(23)10-20(15)25)16(9-17)12-26-11-14-3-1-2-4-19(14)24/h1-10,26H,11-13H2.
What are the key properties of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine?
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine has a molecular weight of 441.19 g/mol, XLogP of 7.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine is sourced from PubChem (CID 4715702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).