N-phenylmethoxyadamantan-2-amine

C17H23NO — CID 15552592

IUPACN-phenylmethoxyadamantan-2-amine
SMILESc1ccc(CONC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C17H23NO/c1-2-4-12(5-3-1)11-19-18-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-18H,6-11H2
InChIKeyRHNWLRCCCXTVKX-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.53
Rot. Bonds4

About N-phenylmethoxyadamantan-2-amine

N-phenylmethoxyadamantan-2-amine (PubChem CID 15552592) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-phenylmethoxyadamantan-2-amine.

Molecular Properties

Compound NameN-phenylmethoxyadamantan-2-amine
PubChem CID15552592
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-phenylmethoxyadamantan-2-amine
SMILESc1ccc(CONC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C17H23NO/c1-2-4-12(5-3-1)11-19-18-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-18H,6-11H2
InChIKeyRHNWLRCCCXTVKX-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine
CID 140552590
(1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol
CID 10649774
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
CID 3839523
3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine
CID 64974306
cis-(1S,2R)-1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine;dihydrochloride
CID 131665573
2-(2-phenylmethoxyphenyl)adamantane
CID 19890650
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
2-adamantyl dibenzyl phosphate
CID 102280168
N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 82710227
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]adamantan-2-amine
CID 4721719
N-(2-adamantyl)-3-phenylmethoxybenzamide
CID 1314081
2-(2-adamantyl)-1-benzyl-1-phenylhydrazine;hydrochloride
CID 70527531

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxyadamantan-2-amine?
The IUPAC name of N-phenylmethoxyadamantan-2-amine (CID 15552592) is N-phenylmethoxyadamantan-2-amine.
What is the SMILES notation for N-phenylmethoxyadamantan-2-amine?
The canonical SMILES for N-phenylmethoxyadamantan-2-amine is c1ccc(CONC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-phenylmethoxyadamantan-2-amine?
The InChIKey is RHNWLRCCCXTVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-4-12(5-3-1)11-19-18-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-18H,6-11H2.
What are the key properties of N-phenylmethoxyadamantan-2-amine?
N-phenylmethoxyadamantan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxyadamantan-2-amine is sourced from PubChem (CID 15552592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).