2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium

C25H31ClNO2+ — CID 7924031

IUPAC2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium
SMILESCOc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H30ClNO2/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/p+1
InChIKeyUUZHDALQZGIORD-UHFFFAOYSA-O
MW412.98 g/mol
LogP4.82
Rot. Bonds7

About 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium

2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium (PubChem CID 7924031) has the molecular formula C25H31ClNO2+ and a molecular weight of 412.98 g/mol. Its IUPAC name is 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium.

Molecular Properties

Compound Name2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium
PubChem CID7924031
Molecular FormulaC25H31ClNO2+
Molecular Weight412.98 g/mol
Exact Mass412.20
IUPAC Name2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium
SMILESCOc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H30ClNO2/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/p+1
InChIKeyUUZHDALQZGIORD-UHFFFAOYSA-O
XLogP4.82
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.98
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium
CID 8621718
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine
CID 4721701
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17290756
2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208415
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4716967
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 4721649
(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 40726440
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254
2-adamantyl-[(2,4-dichlorophenyl)methyl]azanium
CID 7311417
1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4716137
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]hexan-1-amine;hydrochloride
CID 17291067
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 1017197

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium?
The IUPAC name of 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium (CID 7924031) is 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium.
What is the SMILES notation for 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium?
The canonical SMILES for 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium is COc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium?
The InChIKey is UUZHDALQZGIORD-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H30ClNO2/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/p+1.
What are the key properties of 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium?
2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium has a molecular weight of 412.98 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium is sourced from PubChem (CID 7924031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).