N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine

C25H30FNO2 — CID 4721701

IUPACN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine
SMILESCOc1cccc(CNC2C3CC4CC(C3)CC2C4)c1OCc1ccc(F)cc1
InChIInChI=1S/C25H30FNO2/c1-28-23-4-2-3-19(25(23)29-15-16-5-7-22(26)8-6-16)14-27-24-20-10-17-9-18(12-20)13-21(24)11-17/h2-8,17-18,20-21,24,27H,9-15H2,1H3
InChIKeyBAWJIJYBWJYGQT-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.33
Rot. Bonds7

About N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine

N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine (PubChem CID 4721701) has the molecular formula C25H30FNO2 and a molecular weight of 395.52 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine
PubChem CID4721701
Molecular FormulaC25H30FNO2
Molecular Weight395.52 g/mol
Exact Mass395.23
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine
SMILESCOc1cccc(CNC2C3CC4CC(C3)CC2C4)c1OCc1ccc(F)cc1
InChIInChI=1S/C25H30FNO2/c1-28-23-4-2-3-19(25(23)29-15-16-5-7-22(26)8-6-16)14-27-24-20-10-17-9-18(12-20)13-21(24)11-17/h2-8,17-18,20-21,24,27H,9-15H2,1H3
InChIKeyBAWJIJYBWJYGQT-UHFFFAOYSA-N
XLogP5.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]adamantan-2-amine
CID 784414
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721448
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 4721649
N-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 66531155
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine
CID 4721781
2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium
CID 7924031
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17291397
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 3162182
N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17054592
N-[[6-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine
CID 66536577
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]adamantan-2-amine
CID 66533818

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine (CID 4721701) is N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine is COc1cccc(CNC2C3CC4CC(C3)CC2C4)c1OCc1ccc(F)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine?
The InChIKey is BAWJIJYBWJYGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FNO2/c1-28-23-4-2-3-19(25(23)29-15-16-5-7-22(26)8-6-16)14-27-24-20-10-17-9-18(12-20)13-21(24)11-17/h2-8,17-18,20-21,24,27H,9-15H2,1H3.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine?
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine has a molecular weight of 395.52 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine is sourced from PubChem (CID 4721701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).