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

C24H27Cl2NO — CID 4721661

IUPACN-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
SMILESClc1ccc(COc2ccc(CNC3C4CC5CC(C4)CC3C5)cc2)c(Cl)c1
InChIInChI=1S/C24H27Cl2NO/c25-21-4-3-18(23(26)12-21)14-28-22-5-1-15(2-6-22)13-27-24-19-8-16-7-17(10-19)11-20(24)9-16/h1-6,12,16-17,19-20,24,27H,7-11,13-14H2
InChIKeyAHLTZXPFTYICOL-UHFFFAOYSA-N
MW416.39 g/mol
LogP6.49
Rot. Bonds6

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

N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine (PubChem CID 4721661) has the molecular formula C24H27Cl2NO and a molecular weight of 416.39 g/mol. Its IUPAC name is N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
PubChem CID4721661
Molecular FormulaC24H27Cl2NO
Molecular Weight416.39 g/mol
Exact Mass415.15
IUPAC NameN-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
SMILESClc1ccc(COc2ccc(CNC3C4CC5CC(C4)CC3C5)cc2)c(Cl)c1
InChIInChI=1S/C24H27Cl2NO/c25-21-4-3-18(23(26)12-21)14-28-22-5-1-15(2-6-22)13-27-24-19-8-16-7-17(10-19)11-20(24)9-16/h1-6,12,16-17,19-20,24,27H,7-11,13-14H2
InChIKeyAHLTZXPFTYICOL-UHFFFAOYSA-N
XLogP6.49
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 ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 4721735
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 35697691
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 4721649
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210398
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine
CID 66529624
2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214038
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119576
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 51627904
N-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 66531155
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine
CID 4721781

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine?
The IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine (CID 4721661) is N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine.
What is the SMILES notation for N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine?
The canonical SMILES for N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine is Clc1ccc(COc2ccc(CNC3C4CC5CC(C4)CC3C5)cc2)c(Cl)c1.
What is the InChIKey of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine?
The InChIKey is AHLTZXPFTYICOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2NO/c25-21-4-3-18(23(26)12-21)14-28-22-5-1-15(2-6-22)13-27-24-19-8-16-7-17(10-19)11-20(24)9-16/h1-6,12,16-17,19-20,24,27H,7-11,13-14H2.
What are the key properties of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine?
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine has a molecular weight of 416.39 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine is sourced from PubChem (CID 4721661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).