N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine

C16H23NO — CID 61310327

IUPACN-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)Oc1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C16H23NO/c1-11(2)18-15-7-5-14(6-8-15)17-16-10-12-3-4-13(16)9-12/h5-8,11-13,16-17H,3-4,9-10H2,1-2H3
InChIKeyMSVCETJJYSDGSC-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.07
Rot. Bonds4

About N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine

N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 61310327) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID61310327
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)Oc1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C16H23NO/c1-11(2)18-15-7-5-14(6-8-15)17-16-10-12-3-4-13(16)9-12/h5-8,11-13,16-17H,3-4,9-10H2,1-2H3
InChIKeyMSVCETJJYSDGSC-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451149
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55194098
N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43772970
N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363818
2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide
CID 61308415
N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55198635
N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxypyridin-3-amine
CID 63454222
N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline
CID 104860033
N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline
CID 64501251
3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide
CID 61308781

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine (CID 61310327) is N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine is CC(C)Oc1ccc(NC2CC3CCC2C3)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is MSVCETJJYSDGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(2)18-15-7-5-14(6-8-15)17-16-10-12-3-4-13(16)9-12/h5-8,11-13,16-17H,3-4,9-10H2,1-2H3.
What are the key properties of N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine?
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61310327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).