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

C17H25NO — CID 63451149

IUPACN-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1cc(OC(C)C)ccc1NC1CC2CCC1C2
InChIInChI=1S/C17H25NO/c1-11(2)19-15-6-7-16(12(3)8-15)18-17-10-13-4-5-14(17)9-13/h6-8,11,13-14,17-18H,4-5,9-10H2,1-3H3
InChIKeyPXLAIABVZUXBQS-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.38
Rot. Bonds4

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

N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 63451149) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID63451149
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1cc(OC(C)C)ccc1NC1CC2CCC1C2
InChIInChI=1S/C17H25NO/c1-11(2)19-15-6-7-16(12(3)8-15)18-17-10-13-4-5-14(17)9-13/h6-8,11,13-14,17-18H,4-5,9-10H2,1-3H3
InChIKeyPXLAIABVZUXBQS-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.38
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-(4-ethoxy-2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451179
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide
CID 61309173
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline
CID 55193112
N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309711
N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853997
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide
CID 124834114
N-(2-methyl-4-propan-2-yloxyphenyl)-1-oxothian-4-amine
CID 54981487
N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxypyridin-3-amine
CID 63454222
N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine
CID 54865516
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
CID 63451061

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine (CID 63451149) is N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine is Cc1cc(OC(C)C)ccc1NC1CC2CCC1C2.
What is the InChIKey of N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is PXLAIABVZUXBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11(2)19-15-6-7-16(12(3)8-15)18-17-10-13-4-5-14(17)9-13/h6-8,11,13-14,17-18H,4-5,9-10H2,1-3H3.
What are the key properties of N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine?
N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63451149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).