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

C24H27ClFNO — CID 4721792

IUPACN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine
SMILESFc1ccccc1COc1ccc(Cl)cc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H27ClFNO/c25-21-5-6-23(28-15-19-3-1-2-4-22(19)26)20(10-21)14-27-24-11-16-7-17(12-24)9-18(8-16)13-24/h1-6,10,16-18,27H,7-9,11-15H2
InChIKeyWZIPLJGWMOPXEZ-UHFFFAOYSA-N
MW399.94 g/mol
LogP6.12
Rot. Bonds6

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

N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine (PubChem CID 4721792) has the molecular formula C24H27ClFNO and a molecular weight of 399.94 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine
PubChem CID4721792
Molecular FormulaC24H27ClFNO
Molecular Weight399.94 g/mol
Exact Mass399.18
IUPAC NameN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine
SMILESFc1ccccc1COc1ccc(Cl)cc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H27ClFNO/c25-21-5-6-23(28-15-19-3-1-2-4-22(19)26)20(10-21)14-27-24-11-16-7-17(12-24)9-18(8-16)13-24/h1-6,10,16-18,27H,7-9,11-15H2
InChIKeyWZIPLJGWMOPXEZ-UHFFFAOYSA-N
XLogP6.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.94
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-1-amine
CID 4721784
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 2950069
N-[(4-chloro-2-fluorophenyl)methyl]adamantan-1-amine
CID 114841278
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
CID 66535840
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718772
2-[2-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 4720990
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291343
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17293162
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717120
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158933
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 4718771
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834252

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine?
The IUPAC name of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine (CID 4721792) is N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine is Fc1ccccc1COc1ccc(Cl)cc1CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine?
The InChIKey is WZIPLJGWMOPXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFNO/c25-21-5-6-23(28-15-19-3-1-2-4-22(19)26)20(10-21)14-27-24-11-16-7-17(12-24)9-18(8-16)13-24/h1-6,10,16-18,27H,7-9,11-15H2.
What are the key properties of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine?
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine has a molecular weight of 399.94 g/mol, XLogP of 6.12, 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-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine is sourced from PubChem (CID 4721792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).