N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine

C24H27Cl2NO — CID 4721735

IUPACN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
SMILESClc1ccc(COc2cccc(CNC3C4CC5CC(C4)CC3C5)c2)c(Cl)c1
InChIInChI=1S/C24H27Cl2NO/c25-21-5-4-18(23(26)12-21)14-28-22-3-1-2-15(11-22)13-27-24-19-7-16-6-17(9-19)10-20(24)8-16/h1-5,11-12,16-17,19-20,24,27H,6-10,13-14H2
InChIKeyMIBCXUSGDVORLY-UHFFFAOYSA-N
MW416.39 g/mol
LogP6.49
Rot. Bonds6

About N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine

N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine (PubChem CID 4721735) has the molecular formula C24H27Cl2NO and a molecular weight of 416.39 g/mol. Its IUPAC name is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
PubChem CID4721735
Molecular FormulaC24H27Cl2NO
Molecular Weight416.39 g/mol
Exact Mass415.15
IUPAC NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
SMILESClc1ccc(COc2cccc(CNC3C4CC5CC(C4)CC3C5)c2)c(Cl)c1
InChIInChI=1S/C24H27Cl2NO/c25-21-5-4-18(23(26)12-21)14-28-22-3-1-2-15(11-22)13-27-24-19-7-16-6-17(9-19)10-20(24)8-16/h1-5,11-12,16-17,19-20,24,27H,6-10,13-14H2
InChIKeyMIBCXUSGDVORLY-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

Analyze N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 4721661
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17295971
(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726182
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715527
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720614
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718513
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
CID 4716403
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 4721649
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 35697691
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine?
The IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine (CID 4721735) is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine.
What is the SMILES notation for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine?
The canonical SMILES for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine is Clc1ccc(COc2cccc(CNC3C4CC5CC(C4)CC3C5)c2)c(Cl)c1.
What is the InChIKey of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine?
The InChIKey is MIBCXUSGDVORLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2NO/c25-21-5-4-18(23(26)12-21)14-28-22-3-1-2-15(11-22)13-27-24-19-7-16-6-17(9-19)10-20(24)8-16/h1-5,11-12,16-17,19-20,24,27H,6-10,13-14H2.
What are the key properties of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine?
N-[[3-[(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-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine is sourced from PubChem (CID 4721735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).