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

C24H28ClNO — CID 4721649

IUPACN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
SMILESClc1ccc(COc2ccccc2CNC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C24H28ClNO/c25-22-7-5-16(6-8-22)15-27-23-4-2-1-3-19(23)14-26-24-20-10-17-9-18(12-20)13-21(24)11-17/h1-8,17-18,20-21,24,26H,9-15H2
InChIKeyVYIZNYGSXSLGPQ-UHFFFAOYSA-N
MW381.95 g/mol
LogP5.83
Rot. Bonds6

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

N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine (PubChem CID 4721649) has the molecular formula C24H28ClNO and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
PubChem CID4721649
Molecular FormulaC24H28ClNO
Molecular Weight381.95 g/mol
Exact Mass381.19
IUPAC NameN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
SMILESClc1ccc(COc2ccccc2CNC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C24H28ClNO/c25-22-7-5-16(6-8-22)15-27-23-4-2-1-3-19(23)14-26-24-20-10-17-9-18(12-20)13-21(24)11-17/h1-8,17-18,20-21,24,26H,9-15H2
InChIKeyVYIZNYGSXSLGPQ-UHFFFAOYSA-N
XLogP5.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.95
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-phenylmethoxyphenyl)methyl]adamantan-2-amine
CID 4721719
N-[(2-methoxyphenyl)methyl]adamantan-2-amine
CID 784414
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-cyclopropylmethanamine
CID 57269923
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine
CID 4721701
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721375
N-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 66531155
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17207976
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]adamantan-2-amine
CID 66533818
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 35697691
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine
CID 66529624
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717038

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine (CID 4721649) is N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine is Clc1ccc(COc2ccccc2CNC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine?
The InChIKey is VYIZNYGSXSLGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClNO/c25-22-7-5-16(6-8-22)15-27-23-4-2-1-3-19(23)14-26-24-20-10-17-9-18(12-20)13-21(24)11-17/h1-8,17-18,20-21,24,26H,9-15H2.
What are the key properties of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine?
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine has a molecular weight of 381.95 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine is sourced from PubChem (CID 4721649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).