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

C16H23NO — CID 63426599

IUPACN-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCCOc1ccccc1NC1CC2CCC1C2
InChIInChI=1S/C16H23NO/c1-2-9-18-16-6-4-3-5-14(16)17-15-11-12-7-8-13(15)10-12/h3-6,12-13,15,17H,2,7-11H2,1H3
InChIKeyLAYDEEMXBUQLAL-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.08
Rot. Bonds5

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

N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 63426599) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID63426599
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCCOc1ccccc1NC1CC2CCC1C2
InChIInChI=1S/C16H23NO/c1-2-9-18-16-6-4-3-5-14(16)17-15-11-12-7-8-13(15)10-12/h3-6,12-13,15,17H,2,7-11H2,1H3
InChIKeyLAYDEEMXBUQLAL-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

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Related Compounds

N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 63453271
N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine
CID 113370946
N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55194098
N-cyclohexyl-2-propoxyaniline
CID 43682292
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2-ethoxyphenyl)thiourea
CID 11859384
4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
CID 79724258
ethyl 2-(2-bicyclo[2.2.1]heptanylamino)benzoate
CID 63423536
1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61308054
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
CID 104540446
[2-bicyclo[2.2.1]heptanyl-(2-propoxyphenyl)methyl]hydrazine
CID 105266649

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine (CID 63426599) is N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine is CCCOc1ccccc1NC1CC2CCC1C2.
What is the InChIKey of N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is LAYDEEMXBUQLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-9-18-16-6-4-3-5-14(16)17-15-11-12-7-8-13(15)10-12/h3-6,12-13,15,17H,2,7-11H2,1H3.
What are the key properties of N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
N-(2-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-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63426599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).