N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine

C17H25NO — CID 63453271

IUPACN-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)COc1ccccc1NC1CC2CCC1C2
InChIInChI=1S/C17H25NO/c1-12(2)11-19-17-6-4-3-5-15(17)18-16-10-13-7-8-14(16)9-13/h3-6,12-14,16,18H,7-11H2,1-2H3
InChIKeyGSSNDVGQVYLULQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.32
Rot. Bonds5

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

N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 63453271) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID63453271
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)COc1ccccc1NC1CC2CCC1C2
InChIInChI=1S/C17H25NO/c1-12(2)11-19-17-6-4-3-5-15(17)18-16-10-13-7-8-14(16)9-13/h3-6,12-14,16,18H,7-11H2,1-2H3
InChIKeyGSSNDVGQVYLULQ-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63426599
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline
CID 63453489
N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 63453182
N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxypyridin-3-amine
CID 63454222
1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61308054
N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
CID 54864889
1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine
CID 60934851
N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline
CID 80706319
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2-ethoxyphenyl)thiourea
CID 11859384
N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309711

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine (CID 63453271) is N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine is CC(C)COc1ccccc1NC1CC2CCC1C2.
What is the InChIKey of N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is GSSNDVGQVYLULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)11-19-17-6-4-3-5-15(17)18-16-10-13-7-8-14(16)9-13/h3-6,12-14,16,18H,7-11H2,1-2H3.
What are the key properties of N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine?
N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63453271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).