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

C16H23NO — CID 55194098

IUPACN-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCCOc1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C16H23NO/c1-2-9-18-15-7-5-14(6-8-15)17-16-11-12-3-4-13(16)10-12/h5-8,12-13,16-17H,2-4,9-11H2,1H3
InChIKeyZPXFKYPEVNXAKS-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.08
Rot. Bonds5

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

N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 55194098) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID55194098
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCCOc1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C16H23NO/c1-2-9-18-15-7-5-14(6-8-15)17-16-11-12-3-4-13(16)10-12/h5-8,12-13,16-17H,2-4,9-11H2,1H3
InChIKeyZPXFKYPEVNXAKS-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.08
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

3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide
CID 61308781
2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide
CID 61308415
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63426599
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61309747
N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine
CID 113370946
N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
N-(3,4-dimethylcyclohexyl)-4-propoxyaniline
CID 64745627
4-(4-propoxyanilino)cyclohexan-1-ol
CID 106594574
N-(4-propoxyphenyl)piperidin-4-amine
CID 62327639
2-(4-propoxyanilino)cycloheptane-1-carbonitrile
CID 62742838

Frequently Asked Questions

What is the IUPAC name of N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine (CID 55194098) is N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine is CCCOc1ccc(NC2CC3CCC2C3)cc1.
What is the InChIKey of N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZPXFKYPEVNXAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-9-18-15-7-5-14(6-8-15)17-16-11-12-3-4-13(16)10-12/h5-8,12-13,16-17H,2-4,9-11H2,1H3.
What are the key properties of N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 55194098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).