N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine

C24H27Cl2NO — CID 4721784

IUPACN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine
SMILESClc1ccc(COc2ccc(Cl)cc2CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H27Cl2NO/c25-21-3-1-16(2-4-21)15-28-23-6-5-22(26)10-20(23)14-27-24-11-17-7-18(12-24)9-19(8-17)13-24/h1-6,10,17-19,27H,7-9,11-15H2
InChIKeyDZJMMIWVEIRNMR-UHFFFAOYSA-N
MW416.39 g/mol
LogP6.63
Rot. Bonds6

About N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine

N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine (PubChem CID 4721784) has the molecular formula C24H27Cl2NO and a molecular weight of 416.39 g/mol. Its IUPAC name is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine
PubChem CID4721784
Molecular FormulaC24H27Cl2NO
Molecular Weight416.39 g/mol
Exact Mass415.15
IUPAC NameN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine
SMILESClc1ccc(COc2ccc(Cl)cc2CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H27Cl2NO/c25-21-3-1-16(2-4-21)15-28-23-6-5-22(26)10-20(23)14-27-24-11-17-7-18(12-24)9-19(8-17)13-24/h1-6,10,17-19,27H,7-9,11-15H2
InChIKeyDZJMMIWVEIRNMR-UHFFFAOYSA-N
XLogP6.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.39
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine
CID 4721792
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723071
N-[(4-chloro-2-fluorophenyl)methyl]adamantan-1-amine
CID 114841278
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 17055759
N-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine
CID 66532606
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17055758
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291748
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine
CID 17210867
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158925
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
(3S,5R)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 29186936
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]adamantan-1-amine
CID 4722272

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine?
The IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine (CID 4721784) is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine is Clc1ccc(COc2ccc(Cl)cc2CNC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine?
The InChIKey is DZJMMIWVEIRNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2NO/c25-21-3-1-16(2-4-21)15-28-23-6-5-22(26)10-20(23)14-27-24-11-17-7-18(12-24)9-19(8-17)13-24/h1-6,10,17-19,27H,7-9,11-15H2.
What are the key properties of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine?
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine has a molecular weight of 416.39 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine is sourced from PubChem (CID 4721784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).