N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C18H26ClNO — CID 64865167

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(Cc1ccccc1Cl)NC1C2CCCOC2C1(C)C
InChIInChI=1S/C18H26ClNO/c1-12(11-13-7-4-5-9-15(13)19)20-16-14-8-6-10-21-17(14)18(16,2)3/h4-5,7,9,12,14,16-17,20H,6,8,10-11H2,1-3H3
InChIKeyMOVKDZQMXBFBOE-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.06
Rot. Bonds4

About N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64865167) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64865167
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(Cc1ccccc1Cl)NC1C2CCCOC2C1(C)C
InChIInChI=1S/C18H26ClNO/c1-12(11-13-7-4-5-9-15(13)19)20-16-14-8-6-10-21-17(14)18(16,2)3/h4-5,7,9,12,14,16-17,20H,6,8,10-11H2,1-3H3
InChIKeyMOVKDZQMXBFBOE-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

N-[1-(2-chlorophenyl)propan-2-yl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864659
8,8-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863052
7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863919
2-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenol
CID 115655104
N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862875
8,8-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 81375692
N-[1-(furan-2-yl)propan-2-yl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863690
8,8-dimethyl-N-(2-phenylpropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863032
N-[cyclopropyl(phenyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64864978
N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 103477931
8,8-dimethyl-N-[(2-nitrophenyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865386
2-[2-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenoxy]ethanol
CID 75472031

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 64865167) is N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CC(Cc1ccccc1Cl)NC1C2CCCOC2C1(C)C.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is MOVKDZQMXBFBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-12(11-13-7-4-5-9-15(13)19)20-16-14-8-6-10-21-17(14)18(16,2)3/h4-5,7,9,12,14,16-17,20H,6,8,10-11H2,1-3H3.
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 307.86 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64865167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).