N-[(2-methoxyphenyl)methyl]adamantan-2-amine

C18H25NO — CID 784414

IUPACN-[(2-methoxyphenyl)methyl]adamantan-2-amine
SMILESCOc1ccccc1CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H25NO/c1-20-17-5-3-2-4-14(17)11-19-18-15-7-12-6-13(9-15)10-16(18)8-12/h2-5,12-13,15-16,18-19H,6-11H2,1H3
InChIKeyVHQLASZVOXOLKZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.61
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]adamantan-2-amine

N-[(2-methoxyphenyl)methyl]adamantan-2-amine (PubChem CID 784414) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]adamantan-2-amine
PubChem CID784414
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[(2-methoxyphenyl)methyl]adamantan-2-amine
SMILESCOc1ccccc1CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H25NO/c1-20-17-5-3-2-4-14(17)11-19-18-15-7-12-6-13(9-15)10-16(18)8-12/h2-5,12-13,15-16,18-19H,6-11H2,1H3
InChIKeyVHQLASZVOXOLKZ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 4721649
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine
CID 66529624
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine
CID 4721701
N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide
CID 17461561
N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride
CID 70365722
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]adamantan-2-amine
CID 66533818
N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine
CID 18982907
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine
CID 4721781
(3R,6R)-8-benzhydryl-N-[(2-methoxyphenyl)methyl]-7-azatricyclo[4.3.1.03,7]decan-9-amine
CID 67836114
N-[(2-nitrophenyl)methyl]adamantan-2-amine
CID 792005
5-[(2-adamantylamino)methyl]-2-methoxyphenol
CID 43221925

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]adamantan-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]adamantan-2-amine (CID 784414) is N-[(2-methoxyphenyl)methyl]adamantan-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]adamantan-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]adamantan-2-amine is COc1ccccc1CNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]adamantan-2-amine?
The InChIKey is VHQLASZVOXOLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-20-17-5-3-2-4-14(17)11-19-18-15-7-12-6-13(9-15)10-16(18)8-12/h2-5,12-13,15-16,18-19H,6-11H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]adamantan-2-amine?
N-[(2-methoxyphenyl)methyl]adamantan-2-amine has a molecular weight of 271.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]adamantan-2-amine is sourced from PubChem (CID 784414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).