N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine

C16H21NO — CID 140552590

IUPACN-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine
SMILESc1ccc(CONC2C3CC4CC(C3)C2C4)cc1
InChIInChI=1S/C16H21NO/c1-2-4-11(5-3-1)10-18-17-16-14-7-12-6-13(9-14)15(16)8-12/h1-5,12-17H,6-10H2
InChIKeyXZRUOPLDKLWQBR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.14
Rot. Bonds4

About N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine

N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine (PubChem CID 140552590) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine.

Molecular Properties

Compound NameN-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine
PubChem CID140552590
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine
SMILESc1ccc(CONC2C3CC4CC(C3)C2C4)cc1
InChIInChI=1S/C16H21NO/c1-2-4-11(5-3-1)10-18-17-16-14-7-12-6-13(9-14)15(16)8-12/h1-5,12-17H,6-10H2
InChIKeyXZRUOPLDKLWQBR-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.14
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

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CID 15552592
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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
benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 174582130
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 82710227
3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
3-(2-fluorophenyl)-N-phenylmethoxycyclobutan-1-amine
CID 82709787
(1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine
CID 154874589
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CID 66809677

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine?
The IUPAC name of N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine (CID 140552590) is N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine.
What is the SMILES notation for N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine?
The canonical SMILES for N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine is c1ccc(CONC2C3CC4CC(C3)C2C4)cc1.
What is the InChIKey of N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine?
The InChIKey is XZRUOPLDKLWQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-4-11(5-3-1)10-18-17-16-14-7-12-6-13(9-14)15(16)8-12/h1-5,12-17H,6-10H2.
What are the key properties of N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine?
N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxytricyclo[3.3.1.03,7]nonan-2-amine is sourced from PubChem (CID 140552590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).