[3-[2-(1-adamantyl)ethoxy]phenyl]methanamine

C19H27NO — CID 106485177

IUPAC[3-[2-(1-adamantyl)ethoxy]phenyl]methanamine
SMILESNCc1cccc(OCCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H27NO/c20-13-14-2-1-3-18(9-14)21-5-4-19-10-15-6-16(11-19)8-17(7-15)12-19/h1-3,9,15-17H,4-8,10-13,20H2
InChIKeyRCSOMLNWTHFSGX-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.13
Rot. Bonds5

About [3-[2-(1-adamantyl)ethoxy]phenyl]methanamine

[3-[2-(1-adamantyl)ethoxy]phenyl]methanamine (PubChem CID 106485177) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is [3-[2-(1-adamantyl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(1-adamantyl)ethoxy]phenyl]methanamine
PubChem CID106485177
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name[3-[2-(1-adamantyl)ethoxy]phenyl]methanamine
SMILESNCc1cccc(OCCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H27NO/c20-13-14-2-1-3-18(9-14)21-5-4-19-10-15-6-16(11-19)8-17(7-15)12-19/h1-3,9,15-17H,4-8,10-13,20H2
InChIKeyRCSOMLNWTHFSGX-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-[2-(4,4-dimethylcyclohexyl)oxyethoxy]phenyl]methanamine
CID 114340709
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
1-[2-(4-methylphenoxy)ethyl]adamantane
CID 123385316
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
tert-butyl N-[2-[3-[3-(1-adamantyl)propoxy]phenyl]ethyl]carbamate
CID 91096210
[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253572
3-[3-[2-(1-adamantyl)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 15583000
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
CID 22002116
3-[3-[3-(aminomethyl)phenoxy]propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834885
[3-(3-cyclohexyloxypropoxy)phenyl]methanamine
CID 43253956

Frequently Asked Questions

What is the IUPAC name of [3-[2-(1-adamantyl)ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(1-adamantyl)ethoxy]phenyl]methanamine (CID 106485177) is [3-[2-(1-adamantyl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(1-adamantyl)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(1-adamantyl)ethoxy]phenyl]methanamine is NCc1cccc(OCCC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of [3-[2-(1-adamantyl)ethoxy]phenyl]methanamine?
The InChIKey is RCSOMLNWTHFSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c20-13-14-2-1-3-18(9-14)21-5-4-19-10-15-6-16(11-19)8-17(7-15)12-19/h1-3,9,15-17H,4-8,10-13,20H2.
What are the key properties of [3-[2-(1-adamantyl)ethoxy]phenyl]methanamine?
[3-[2-(1-adamantyl)ethoxy]phenyl]methanamine has a molecular weight of 285.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1-adamantyl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 106485177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).